Geometry & MOs

Info

ID:	445636
PubChem CID:	135268702
Reduced:	OF2N6H20C25 (1)
Stoich.:	AB2C6D20E25 (1)
Weight, g/mol:	464.202382
ΔH_f, kcal/mol:	15.34
Dipole, Da:	5.5
IP(EA), eV:	-8.88(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-fluoro-3-(5-fluoro-7-morpholin-4-ylquinazolin-4-yl)phenyl]-3-methyl-2-(prop-2-enylideneamino)but-2-en-1-ol

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(C=C2)C(=NC=N3)C4=C(C=C(C(=C4)CC5=CN6C=CN=C6C=N5)F)F

DOS

IR

Vibrations