Geometry & MOs

Info

ID:	327439
PubChem CID:	126689912
Reduced:	ClFO2N5C26H27 (1)
Stoich.:	ABC2D5E26F27 (1)
Weight, g/mol:	411.126216
ΔH_f, kcal/mol:	2.54
Dipole, Da:	8.37
IP(EA), eV:	-8.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-7-[(3-methyl-3-azatricyclo[3.1.0.02,6]hexan-1-yl)methoxy]quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CN1C2CCC1C(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC6C(O6)C=C

DOS

IR

Vibrations