Geometry & MOs

Info

ID:	327431
PubChem CID:	126689896
Reduced:	ClFON5C23H27 (1)
Stoich.:	ABCD5E23F27 (1)
Weight, g/mol:	427.157516
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	7.28
IP(EA), eV:	-8.5(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-7-[2-[(5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]ethoxy]quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CCC1CC(CC(N1C)C)OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)N

DOS

IR

Vibrations