Geometry & MOs

Info

ID:	443682
PubChem CID:	135259757
Reduced:	N3O3C28H37 (1)
Stoich.:	A3B3C28D37 (1)
Weight, g/mol:	465.335528
ΔH_f, kcal/mol:	-72.98
Dipole, Da:	5.76
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexyl)cyclohexa-1,4-dien-1-yl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC(=C2)CN3CCOCC3)C)CC4=CC=C(C=C4)/C=C/C(=O)O

DOS

IR

Vibrations