Geometry & MOs

Info

ID:	161017
PubChem CID:	57390537
Reduced:	FOSN2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	515.351178
ΔH_f, kcal/mol:	-30.29
Dipole, Da:	5.74
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl) 3-(4-methylpiperazin-1-yl)propanoate

Drug info:

PubChemData

Smile

CCNC1=NC(=C(S1)C(=O)/C=C/C2=CC(=CC=C2)F)C

DOS

IR

Vibrations