Geometry & MOs

Info

ID:	445779
PubChem CID:	135269485
Reduced:	ClO2N5C23H36 (1)
Stoich.:	AB2C5D23E36 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-68.8
Dipole, Da:	2.7
IP(EA), eV:	-8.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-dimethyl-4-(3-methylbut-2-enyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CCC1=C(N(C(=N1)CC)CC2=NC=C(C=C2)Cl)CN(CC(C)CCO)C(C(=O)C)NC

DOS

IR

Vibrations