Geometry & MOs

Info

ID:	203520
PubChem CID:	79840442
Reduced:	ClN3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	247.087625
ΔH_f, kcal/mol:	102.95
Dipole, Da:	6.32
IP(EA), eV:	-8.62(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-aminophenyl)ethyl]-3-chloropyridin-4-amine

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)NC3=C(C=NC=C3)Cl

DOS

IR

Vibrations