Geometry & MOs

Info

ID:	413550
PubChem CID:	135086499
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	211.099714
ΔH_f, kcal/mol:	23.63
Dipole, Da:	2.59
IP(EA), eV:	-9.29(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-1-pyrrol-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=C)C(=O)N2C=CC=C2

DOS

IR

Vibrations