Geometry & MOs

Info

ID:	337300
PubChem CID:	127256982
Reduced:	O2N5H11C13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	198.054161
ΔH_f, kcal/mol:	67.25
Dipole, Da:	4.57
IP(EA), eV:	-9.33(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-4-pyrazin-2-yl-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(C=C1)N(C(=O)C2=NN=CC=C2)N)C#N

DOS

IR

Vibrations