Geometry & MOs

Info

ID:	398384
PubChem CID:	135033034
Reduced:	N2O2F4H14C17 (1)
Stoich.:	A2B2C4D14E17 (1)
Weight, g/mol:	356.05243
ΔH_f, kcal/mol:	-162.64
Dipole, Da:	6.21
IP(EA), eV:	-9.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)spiro[1H-quinazoline-2,1'-cyclopentane]-4-one

Drug info:

PubChemData

Smile

C1C=C(CC2=C1NC(=C2)C(C[N+](=O)[O-])(C3=CC=CC=C3)C(F)(F)F)F

DOS

IR

Vibrations