Geometry & MOs

Info

ID:	445794
PubChem CID:	135269583
Reduced:	SN2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	23.02
Dipole, Da:	6.48
IP(EA), eV:	-8.31(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN(CC(N1CC2=CC=C(C=C2)C)C)C=S

DOS

IR

Vibrations