Geometry & MOs

Info

ID:	445587
PubChem CID:	135268335
Reduced:	PN2F4O6H15C20 (1)
Stoich.:	AB2C4D6E15F20 (1)
Weight, g/mol:	447.170668
ΔH_f, kcal/mol:	-429.62
Dipole, Da:	8.72
IP(EA), eV:	-9.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3Z)-4-fluoro-3-(7-morpholin-4-yl-1H-quinazolin-4-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC2=C(C=C(C=C2)C(F)(F)F)C(=O)NC3=CC(=O)N(C=C3)COP(O)O)F

DOS

IR

Vibrations