Geometry & MOs

Info

ID:	6113
PubChem CID:	67078
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	2.57
Dipole, Da:	7.0
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile

Drug info:

PubChemData

Smile

CCN(CCC#N)C1=CC(=C(C=C1)C=O)C

DOS

IR

Vibrations