Geometry & MOs

Info

ID:	171713
PubChem CID:	75416477
Reduced:	SN2O4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	6.94
IP(EA), eV:	-9.49(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)O)C(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations