Geometry & MOs

Info

ID:	122032
PubChem CID:	50790321
Reduced:	ON4C29H30 (1)
Stoich.:	AB4C29D30 (1)
Weight, g/mol:	450.241962
ΔH_f, kcal/mol:	53.62
Dipole, Da:	5.53
IP(EA), eV:	-8.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)phenyl]-N-(2-phenylethyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)N2CC3=CC=CC=C3N4C=CC=C4C2C5=CC=C(C=C5)N(C)C

DOS

IR

Vibrations