Geometry & MOs

Info

ID:	407986
PubChem CID:	135080741
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	162.079313
ΔH_f, kcal/mol:	-29.27
Dipole, Da:	2.67
IP(EA), eV:	-9.17(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-oxo-4-pyrrol-1-ylbutanenitrile

Drug info:

PubChemData

Smile

C/C=C(/CO)\C1=CC=C(C=C1)C

DOS

IR

Vibrations