Geometry & MOs

Info

ID:	190728
PubChem CID:	78049476
Reduced:	N4O4C27H38 (1)
Stoich.:	A4B4C27D38 (1)
Weight, g/mol:	404.125133
ΔH_f, kcal/mol:	-164.99
Dipole, Da:	8.47
IP(EA), eV:	-8.62(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2,4-dioxo-1,5,6,7-tetrahydropyrido[3,2-d][1]benzazepine-3-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CCC1C(C(C(=O)NC1C2=CC3=C(C=C2)N(C(=C3)CN4CC5CC(CC5C4)N(C)C)C)C(=O)O)O

DOS

IR

Vibrations