Geometry & MOs

Info

ID:	377872
PubChem CID:	134223937
Reduced:	ClFN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	236.132491
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	4.26
IP(EA), eV:	-8.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-3-pentan-2-yl-1,4-dihydroquinazolin-2-one

Drug info:

PubChemData

Smile

CC(=O)/C(=C\NC1=CC(=C(C=C1)F)Cl)/C(=C\N=C)/OC

DOS

IR

Vibrations