Geometry & MOs

Info

ID:	445797
PubChem CID:	135269600
Reduced:	ClO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	6.22
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(2-chlorophenyl)methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations