Geometry & MOs

Info

ID:	443678
PubChem CID:	135259745
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-19.36
Dipole, Da:	4.59
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=C(C3=CC=CC=C3C=C2)C=O)C)CC4=CC=C(C=C4)C(=O)NO

DOS

IR

Vibrations