Geometry & MOs

Info

ID:	413617
PubChem CID:	135086566
Reduced:	O5C8H10 (1)
Stoich.:	A5B8C10 (1)
Weight, g/mol:	211.099714
ΔH_f, kcal/mol:	-191.07
Dipole, Da:	3.0
IP(EA), eV:	-10.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-1-pyrrol-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1(COC(=O)[C@H]1OC(=O)C=O)C

DOS

IR

Vibrations