Geometry & MOs

Info

ID:	445624
PubChem CID:	135268635
Reduced:	FON2C14H16 (2)
Stoich.:	ABC2D14E16 (2)
Weight, g/mol:	428.184841
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	8.69
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=N/C(=C(/C)\C=C)/C(C1=C(C=C(C(=C1)C\2=NC=NC/C2=C\C=C(/C=C)\N3CCOCC3)F)F)O)C

DOS

IR

Vibrations