Geometry & MOs

Info

ID:	252165
PubChem CID:	103109544
Reduced:	ClO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-58.92
Dipole, Da:	3.58
IP(EA), eV:	-10.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-3-oxobutanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCCC2)CCl

DOS

IR

Vibrations