Geometry & MOs

Info

ID:	273785
PubChem CID:	103799628
Reduced:	NSO3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-142.68
Dipole, Da:	5.17
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-3-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCCC1=C(C=C(S1)C(=O)NC(CCO)COC)CC

DOS

IR

Vibrations