Geometry & MOs

Info

ID:	841
PubChem CID:	3424
Reduced:	NOC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	303.162314
ΔH_f, kcal/mol:	3.75
Dipole, Da:	5.26
IP(EA), eV:	-8.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzylphenyl)-(2,4,5-trimethyl-1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C)C

DOS

IR

Vibrations