Geometry & MOs

Info

ID:	252917
PubChem CID:	103114918
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	15.89
Dipole, Da:	4.35
IP(EA), eV:	-9.62(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylbutan-2-yl)-2-[(2-methyl-3-nitrophenyl)methylamino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations