Geometry & MOs

Info

ID:	56329
PubChem CID:	17425112
Reduced:	OS2N5H13C14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	440.122688
ΔH_f, kcal/mol:	62.33
Dipole, Da:	7.01
IP(EA), eV:	-8.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations