Geometry & MOs

Info

ID:	20479
PubChem CID:	584202
Reduced:	ON2H6C7 (1)
Stoich.:	AB2C6D7 (1)
Weight, g/mol:	134.048013
ΔH_f, kcal/mol:	20.34
Dipole, Da:	3.48
IP(EA), eV:	-9.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-formyl-1H-pyrrol-3-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=C(NC=C1CC#N)C=O

DOS

IR

Vibrations