Geometry & MOs

Info

ID:	327438
PubChem CID:	126689909
Reduced:	ClFO2N5C25H31 (1)
Stoich.:	ABC2D5E25F31 (1)
Weight, g/mol:	495.183731
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	7.31
IP(EA), eV:	-8.33(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-6-N-(3-ethenyloxiran-2-yl)-7-[(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)methoxy]quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CC1NC2=CC(=C(C=C2C(=N1)NC3=CC(=C(C=C3)F)Cl)N)OCC4CCC5(O4)CCN(CC5)C

DOS

IR

Vibrations