Geometry & MOs

Info

ID:

186790

PubChem CID:

77483777

Reduced:

O2N3C21H24 (2)

Stoich.:

A2B3C21D24 (2)

Weight, g/mol:

583.423674

ΔHf, kcal/mol:

-100.05

Dipole, Da:

1.38

IP(EA), eV:

 -8.65(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,25-dimethyl-7-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-12-oxa-7-azaoctacyclo[14.11.0.01,3.03,13.05,13.06,11.017,26.020,25]heptacos-19-en-22-ol

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)OC(C)(C)C)C2=NC=C(N2)C3=CC=CC4=C3C=CC=C4C5=CC=C(C=C5)C6=CN=C(N6)C7CC8CC8N7C(=O)OC(C)(C)C

DOS

IR

Vibrations