Geometry & MOs

Info

ID:

296851

PubChem CID:

117596599

Reduced:

N3O7H29C33 (1)

Stoich.:

A3B7C29D33 (1)

Weight, g/mol:

1120.494448

ΔHf, kcal/mol:

-115.17

Dipole, Da:

3.16

IP(EA), eV:

 -8.84(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;(1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 2-methylbut-2-enoate;sulfuric acid;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C=C)C2=CC(=O)C(=CC2=O)OC.COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations