Geometry & MOs

Info

ID:	445593
PubChem CID:	135268416
Reduced:	O2F4N5H25C27 (1)
Stoich.:	A2B4C5D25E27 (1)
Weight, g/mol:	507.208196
ΔH_f, kcal/mol:	-164.98
Dipole, Da:	6.06
IP(EA), eV:	-8.61(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1CC2=NN=C(C=C2)OCC(F)(F)F)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F

DOS

IR

Vibrations