Geometry & MOs

Info

ID:	372028
PubChem CID:	131287548
Reduced:	N2O2C7H12 (1)
Stoich.:	A2B2C7D12 (1)
Weight, g/mol:	171.043262
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	4.63
IP(EA), eV:	-9.66(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-1H-quinazoline-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1COC[C@@](N1)(CO)C#N

DOS

IR

Vibrations