Geometry & MOs

Info

ID:

333990

PubChem CID:

127252542

Reduced:

N3O5H21C27 (1)

Stoich.:

A3B5C21D27 (1)

Weight, g/mol:

461.325357

ΔHf, kcal/mol:

-102.11

Dipole, Da:

9.74

IP(EA), eV:

 -8.38(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC=C(O5)C6=CC=CC=C6C(=O)O

DOS

IR

Vibrations