Geometry & MOs

Info

ID:	75635
PubChem CID:	48423773
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	391.127439
ΔH_f, kcal/mol:	-62.42
Dipole, Da:	1.69
IP(EA), eV:	-8.97(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1Cl)OCC2CC2

DOS

IR

Vibrations