Geometry & MOs

Info

ID:	272773
PubChem CID:	103756530
Reduced:	ClN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	228.102941
ΔH_f, kcal/mol:	39.89
Dipole, Da:	4.16
IP(EA), eV:	-8.53(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butoxyethyl)-2-chloropyridin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=CC(=NC=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations