Geometry & MOs

Info

ID:	374725
PubChem CID:	131342553
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	27.18
Dipole, Da:	4.77
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-oxo-5,6,7,8-tetrahydro-4aH-quinazoline-8-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=C(N12)C(C)(C#N)O)C

DOS

IR

Vibrations