Geometry & MOs

Info

ID:	18932
PubChem CID:	551139
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-59.1
Dipole, Da:	3.59
IP(EA), eV:	-9.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Drug info:

PubChemData

Smile

C1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1

DOS

IR

Vibrations