Geometry & MOs

Info

ID:	236947
PubChem CID:	92716359
Reduced:	OF2N6H28C29 (1)
Stoich.:	AB2C6D28E29 (1)
Weight, g/mol:	501.346761
ΔH_f, kcal/mol:	-14.32
Dipole, Da:	3.18
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NN[C@H](C2)C3=CC(=CC=C3)F)C4=NC5=CC=CC=C5N4CC6=CC(=CC=C6)F

DOS

IR

Vibrations