Geometry & MOs

Info

ID:	272775
PubChem CID:	103756601
Reduced:	ClN3C13H18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	239.118925
ΔH_f, kcal/mol:	18.41
Dipole, Da:	7.43
IP(EA), eV:	-8.78(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-4-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC2CN(CCCN2C1)C3=CC(=NC=C3)Cl

DOS

IR

Vibrations