Geometry & MOs

Info

ID:	445632
PubChem CID:	135268659
Reduced:	FON4H23C25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	491.172241
ΔH_f, kcal/mol:	15.45
Dipole, Da:	5.27
IP(EA), eV:	-8.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[hydroxy-[(3Z)-3-(7-morpholin-4-yl-1H-quinazolin-4-ylidene)-6-oxo-4-phosphanylcyclohexa-1,4-dien-1-yl]methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CC2=CC(=C(C=C2)F)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5

DOS

IR

Vibrations