Geometry & MOs

Info

ID:	445798
PubChem CID:	135269601
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	5.2
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-dimethyl-4-(3-phenylpropanoyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)CC3=CC=CC=C3Cl

DOS

IR

Vibrations