Geometry & MOs

Info

ID:	427794
PubChem CID:	135163080
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	148.063663
ΔH_f, kcal/mol:	-144.96
Dipole, Da:	6.12
IP(EA), eV:	-9.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a,5-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1CCCN1C2=NC=C(C=N2)C(=O)O

DOS

IR

Vibrations