Geometry & MOs

Info

ID:	375076
PubChem CID:	131465755
Reduced:	ClN2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	190.085461
ΔH_f, kcal/mol:	-39.02
Dipole, Da:	3.84
IP(EA), eV:	-9.2(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-oxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-8-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C(=C(C=C2C(=O)C1)N)[N+](=O)[O-])Cl

DOS

IR

Vibrations