Geometry & MOs

Info

ID:	69141
PubChem CID:	46519987
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	300.127406
ΔH_f, kcal/mol:	-202.7
Dipole, Da:	5.11
IP(EA), eV:	-8.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C3=CN=C(C=C3)C

DOS

IR

Vibrations