Geometry & MOs

Info

ID:	11270
PubChem CID:	112757
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	202.146999
ΔH_f, kcal/mol:	33.13
Dipole, Da:	3.64
IP(EA), eV:	-8.38(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-butylanilino)propanenitrile

Drug info:

PubChemData

Smile

CCCCN(CCC#N)C1=CC=CC=C1

DOS

IR

Vibrations