Geometry & MOs

Info

ID:

177307

PubChem CID:

76164803

Reduced:

N3O4C23H31 (2)

Stoich.:

A3B4C23D31 (2)

Weight, g/mol:

514.258006

ΔHf, kcal/mol:

-62.59

Dipole, Da:

6.11

IP(EA), eV:

 -8.47(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[3-(dimethylcarbamoyl)phenyl]-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC=CC1=CC=C2C3C(C(C(N3CC4CC4)CN2C1=O)CO)C(=O)N5CCOCC5.CC=CC1=CC=C2C3C(C(C(N3CC4CC4)CN2C1=O)CO)C(=O)N5CCOCC5

DOS

IR

Vibrations