Geometry & MOs

Info

ID:	5928
PubChem CID:	14100
Reduced:	N2C9H10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	146.084398
ΔH_f, kcal/mol:	49.76
Dipole, Da:	2.97
IP(EA), eV:	-8.63(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilinopropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCCC#N

DOS

IR

Vibrations