Geometry & MOs

Info

ID:	445605
PubChem CID:	135268485
Reduced:	OF2N7H21C25 (1)
Stoich.:	AB2C7D21E25 (1)
Weight, g/mol:	473.222703
ΔH_f, kcal/mol:	19.11
Dipole, Da:	2.47
IP(EA), eV:	-8.66(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-2-[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-3-methyl-6-(methylideneamino)hexa-3,5-dienamide

Drug info:

PubChemData

Smile

CN1C=NC2=C(N=CN=C21)CC3=CC(=C(C=C3F)F)C4=NC=NC5=C4C=CC(=C5)N6CCOCC6

DOS

IR

Vibrations