Geometry & MOs

Info

ID:	327463
PubChem CID:	126689989
Reduced:	ClFON6C32H38 (1)
Stoich.:	ABCD6E32F38 (1)
Weight, g/mol:	587.11935
ΔH_f, kcal/mol:	13.96
Dipole, Da:	10.4
IP(EA), eV:	-8.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-fluoro-3-(iodomethyl)anilino]-7-[(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)methoxy]quinazolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1CC2CCC(C1)C2CCNC3=C(C=C4C(=C3)N=CN=C4CC5CN5CCC6=CC(=C(C=C6)F)Cl)NC(=O)C=C

DOS

IR

Vibrations