Geometry & MOs

Info

ID:	34212
PubChem CID:	7890313
Reduced:	NCl2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	301.106256
ΔH_f, kcal/mol:	-109.47
Dipole, Da:	4.35
IP(EA), eV:	-9.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCC(=O)O[C@@H](C1=CC=CC=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations