Geometry & MOs

Info

ID:	342040
PubChem CID:	127264753
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	-145.94
Dipole, Da:	3.94
IP(EA), eV:	-9.12(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-[2-(2-methylpyrazol-3-yl)ethenyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(CO)NC(=O)C=CC1=CC(=C(C=C1)F)OC

DOS

IR

Vibrations