Geometry & MOs

Info

ID:	216734
PubChem CID:	85086694
Reduced:	NO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	297.093583
ΔH_f, kcal/mol:	-84.72
Dipole, Da:	3.44
IP(EA), eV:	-8.8(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=CC(=O)C3=CC=CO3)CCC2=O

DOS

IR

Vibrations