Geometry & MOs

Info

ID:

190247

PubChem CID:

77976478

Reduced:

O3N4H20C25 (1)

Stoich.:

A3B4C20D25 (1)

Weight, g/mol:

477.1627

ΔHf, kcal/mol:

28.16

Dipole, Da:

4.15

IP(EA), eV:

 -8.32(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(7-hydroxy-6-oxo-2,3,4,4a,5,7,8,8a-octahydro-1H-isoquinolin-1-yl)-2-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one;hydrobromide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N=C4C=CC=CC4=C5N3C(=O)C6C=CC=CC6=N5.O

DOS

IR

Vibrations