Geometry & MOs

Info

ID:	445817
PubChem CID:	135269668
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	489.299142
ΔH_f, kcal/mol:	-32.51
Dipole, Da:	3.02
IP(EA), eV:	-9.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]acetyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)CC2=CC(=CC=C2)C3=CC=CC=C3)C)CC4=CC=C(C=C4)C(=O)NO

DOS

IR

Vibrations