Geometry & MOs

Info

ID:	22904
PubChem CID:	599805
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	-11.75
Dipole, Da:	7.14
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=NC2=O)C

DOS

IR

Vibrations