Geometry & MOs

Info

ID:	236946
PubChem CID:	92716358
Reduced:	FON4C26H31 (1)
Stoich.:	ABC4D26E31 (1)
Weight, g/mol:	514.229266
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	5.39
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F

DOS

IR

Vibrations