Geometry & MOs

Info

ID:	27405
PubChem CID:	821174
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	186.054161
ΔH_f, kcal/mol:	-111.55
Dipole, Da:	7.93
IP(EA), eV:	-10.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-6-methylpyrazine-2,3-dicarbonitrile

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)N(C1=CC=CC=C1)C(=O)C

DOS

IR

Vibrations