Geometry & MOs

Info

ID:	443677
PubChem CID:	135259744
Reduced:	NO2C30H61 (1)
Stoich.:	AB2C30D61 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-223.09
Dipole, Da:	5.64
IP(EA), eV:	-9.86(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,5R)-4-[(1-formylnaphthalen-2-yl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC(CCCCCCCCCC)C(=O)O

DOS

IR

Vibrations