Geometry & MOs

Info

ID:	399781
PubChem CID:	135042606
Reduced:	NSO4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-148.37
Dipole, Da:	2.27
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-3-nitro-N-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=CC=C1)SC(=C2C(=O)OCC)N

DOS

IR

Vibrations