Geometry & MOs

Info

ID:	58893
PubChem CID:	24715056
Reduced:	OSF2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	343.01816
ΔH_f, kcal/mol:	-61.4
Dipole, Da:	3.68
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)CSC2=NC=C(N2CCC#N)CO

DOS

IR

Vibrations