Geometry & MOs

Info

ID:	403379
PubChem CID:	135059938
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	219.0652
ΔH_f, kcal/mol:	5.78
Dipole, Da:	4.24
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C/C(=C(\CC#N)/C(=O)C)/NC1=CC=CC=C1

DOS

IR

Vibrations