Geometry & MOs

Info

ID:	280761
PubChem CID:	103851148
Reduced:	SN3O3C8H13 (1)
Stoich.:	AB3C3D8E13 (1)
Weight, g/mol:	298.116486
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	4.83
IP(EA), eV:	-10.2(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CN=NS1

DOS

IR

Vibrations