Geometry & MOs

Info

ID:	131944
PubChem CID:	51283068
Reduced:	FN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	364.038148
ΔH_f, kcal/mol:	-169.27
Dipole, Da:	4.41
IP(EA), eV:	-8.92(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(CNC(=O)CCC(=O)C2=CC=C(C=C2)F)N3CCOCC3

DOS

IR

Vibrations