Geometry & MOs

Info

ID:	327441
PubChem CID:	126689915
Reduced:	ClFON5C21H23 (1)
Stoich.:	ABCD5E21F23 (1)
Weight, g/mol:	420.23254
ΔH_f, kcal/mol:	-21.41
Dipole, Da:	6.18
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-fluoro-3-methylphenyl)-7-(spiro[3.5]nonan-2-ylmethoxy)quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CC1CN(CC1COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)N)C

DOS

IR

Vibrations