Geometry & MOs

Info

ID:	445805
PubChem CID:	135269624
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	441.143089
ΔH_f, kcal/mol:	-94.85
Dipole, Da:	3.37
IP(EA), eV:	-9.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S)-4-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)C(C)(C)C)C)CC2=CC=C(C=C2)C(=O)NO

DOS

IR

Vibrations