Geometry & MOs

Info

ID:	296431
PubChem CID:	117573764
Reduced:	N2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	21.2
Dipole, Da:	3.69
IP(EA), eV:	-8.93(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylanilino)methyl]butanenitrile

Drug info:

PubChemData

Smile

CCC(CN1CCC(CC1)CC2=CC=CC=C2)C#N

DOS

IR

Vibrations