Geometry & MOs

Info

ID:	406197
PubChem CID:	135076859
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	331.157229
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	6.16
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-benzoyl-4-phenylpyrrol-1-yl)-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C=C1C2=CC=CC=C2)C(=O)C(C)(C)C

DOS

IR

Vibrations