Geometry & MOs

Info

ID:	372810
PubChem CID:	131305195
Reduced:	ClON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	175.074562
ΔH_f, kcal/mol:	-2.03
Dipole, Da:	5.37
IP(EA), eV:	-8.49(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-methyl-4-oxo-1H-pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CNC2=CNC(=O)C=C2

DOS

IR

Vibrations