Geometry & MOs

Info

ID:	142929
PubChem CID:	53118242
Reduced:	ClO2N4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	5.7
IP(EA), eV:	-8.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)NC2=NC=CN(C2=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations