Geometry & MOs

Info

ID:	251320
PubChem CID:	103103035
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-83.36
Dipole, Da:	3.16
IP(EA), eV:	-9.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=C(C=C1)[C@@H](C)O)[N+](=O)[O-]

DOS

IR

Vibrations