Geometry & MOs

Info

ID:	188590
PubChem CID:	77739296
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	365.190341
ΔH_f, kcal/mol:	12.71
Dipole, Da:	6.85
IP(EA), eV:	-8.68(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluoro-4-phenylpiperidin-1-yl)propyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=CC=C2)CCCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations