Geometry & MOs

Info

ID:	391020
PubChem CID:	135002277
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	368.116092
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	5.01
IP(EA), eV:	-8.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-diphenyl-1H-pyrrol-2-yl)-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)N=C1C2=CC(=C(C=C2C=C1C(=O)OC)OC)OC

DOS

IR

Vibrations