Geometry & MOs

Info

ID:	319845
PubChem CID:	126657391
Reduced:	NC7H13 (1)
Stoich.:	AB7C13 (1)
Weight, g/mol:	447.203717
ΔH_f, kcal/mol:	13.63
Dipole, Da:	1.72
IP(EA), eV:	-8.11(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-chloro-6-(hydroxymethyl)pyridin-4-yl]ethyl]-N-ethyl-2-[4-[6-(hydroxymethyl)pyridin-2-yl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN/C=C(/C)\C=C

DOS

IR

Vibrations