Geometry & MOs

Info

ID:	284064
PubChem CID:	104032478
Reduced:	N3C13H23 (1)
Stoich.:	A3B13C23 (1)
Weight, g/mol:	238.121846
ΔH_f, kcal/mol:	-6.58
Dipole, Da:	4.47
IP(EA), eV:	-8.31(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-(2-aminopyridin-4-yl)anilino)propanenitrile

Drug info:

PubChemData

Smile

CCCCN(CCCC)C1=CC(=NC=C1)N

DOS

IR

Vibrations