Geometry & MOs

Info

ID:	327465
PubChem CID:	126689991
Reduced:	FIO3N5C25H27 (1)
Stoich.:	ABC3D5E25F27 (1)
Weight, g/mol:	537.14009
ΔH_f, kcal/mol:	-5.0
Dipole, Da:	3.79
IP(EA), eV:	-8.64(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[4-fluoro-3-(iodomethyl)phenyl]-7-[(5-methyl-5-azaspiro[2.4]heptan-2-yl)methoxy]-1,2,3,4-tetrahydroquinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CN1CC2CCC(C1)C2CCOC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)CI)[N+](=O)[O-]

DOS

IR

Vibrations