Geometry & MOs

Info

ID:	274174
PubChem CID:	103807561
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	3.32
IP(EA), eV:	-9.58(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-methylphenyl)-2-(3-methylbutylsulfonyl)acetamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=NNC(=O)C=C1)N

DOS

IR

Vibrations