Geometry & MOs

Info

ID:	327435
PubChem CID:	126689904
Reduced:	ClFO3N5C28H31 (1)
Stoich.:	ABC3D5E28F31 (1)
Weight, g/mol:	457.168081
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	4.27
IP(EA), eV:	-8.7(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-7-(1-oxa-8-azaspiro[4.5]decan-2-ylmethoxy)quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CN1CCC2(CC1)CC(CO2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC6C(O6)C=C

DOS

IR

Vibrations