Geometry & MOs

Info

ID:	122025
PubChem CID:	50790186
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	393.184112
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	4.74
IP(EA), eV:	-8.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-phenyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

CC1C2=CC=CN2C3=CC=CC=C3CN1C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations