Geometry & MOs

Info

ID:	418031
PubChem CID:	135103355
Reduced:	ClF3N3H11C13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-114.97
Dipole, Da:	3.22
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NCC2=CC=CC=C2C(F)(F)F)Cl

DOS

IR

Vibrations