Geometry & MOs

Info

ID:	225082
PubChem CID:	85741472
Reduced:	ClNOC9H12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	3.97
IP(EA), eV:	-8.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methyl-6-oxo-2,3-dihydro-1H-pyrazin-5-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C(=C1)C)Cl)O

DOS

IR

Vibrations