Geometry & MOs

Info

ID:	122029
PubChem CID:	50790219
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	467.220892
ΔH_f, kcal/mol:	34.07
Dipole, Da:	5.34
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2=CC=CN2C3=CC=CC=C3CN1C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations