Geometry & MOs

Info

ID:	69014
PubChem CID:	46515546
Reduced:	FNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-120.91
Dipole, Da:	1.51
IP(EA), eV:	-8.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethoxy-2-hydroxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SCC3=CC(=CC=C3)F

DOS

IR

Vibrations