Geometry & MOs

Info

ID:	53326
PubChem CID:	14710424
Reduced:	NH12C13 (2)
Stoich.:	AB12C13 (2)
Weight, g/mol:	351.162314
ΔH_f, kcal/mol:	135.96
Dipole, Da:	3.58
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(4-methylphenyl)-2-phenylpyrrol-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC#CC/C(=C(\C1=CC=CC=C1)/N)/C(=NC2=CC=C(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations