Geometry & MOs

Info

ID:	142930
PubChem CID:	53118391
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	320.127326
ΔH_f, kcal/mol:	-1.88
Dipole, Da:	5.12
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=CN=C(C2=O)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations