Geometry & MOs

Info

ID:	327468
PubChem CID:	126690001
Reduced:	ClFN6C25H30 (1)
Stoich.:	ABC6D25E30 (1)
Weight, g/mol:	519.240103
ΔH_f, kcal/mol:	13.05
Dipole, Da:	8.47
IP(EA), eV:	-8.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(3-chloro-4-methylanilino)-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy]quinazolin-6-yl]but-2-enamide

Drug info:

PubChemData

Smile

CN1CCC2(CC1)CC(C2)CCNC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)N

DOS

IR

Vibrations