Geometry & MOs

Info

ID:	58877
PubChem CID:	24715019
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	326.154289
ΔH_f, kcal/mol:	-143.31
Dipole, Da:	3.46
IP(EA), eV:	-9.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1'-(pyridin-4-ylmethyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CSC[C@@H]2C(=O)O

DOS

IR

Vibrations