Geometry & MOs

Info

ID:	219605
PubChem CID:	85149459
Reduced:	O5C38H70 (1)
Stoich.:	A5B38C70 (1)
Weight, g/mol:	607.332254
ΔH_f, kcal/mol:	-350.89
Dipole, Da:	4.58
IP(EA), eV:	-9.59(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-fluorophenyl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCCCCCC=CCCCCCCCCC(=O)OCC(O)OC(=O)CCCCCCCCC=CCCCCCCC

DOS

IR

Vibrations