Geometry & MOs

Info

ID:	327437
PubChem CID:	126689907
Reduced:	ClOF2N5C21H22 (1)
Stoich.:	ABC2D5E21F22 (1)
Weight, g/mol:	487.215031
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	7.64
IP(EA), eV:	-8.53(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-2-methyl-7-[(8-methyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methoxy]-1,2-dihydroquinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CC1CC(C(N1C)F)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)N

DOS

IR

Vibrations