Geometry & MOs

Info

ID:	127274
PubChem CID:	50996834
Reduced:	ON4C24H38 (1)
Stoich.:	AB4C24D38 (1)
Weight, g/mol:	436.26384
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	2.13
IP(EA), eV:	-8.19(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[1-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCN1C2=C(C=C(C(=C2)C)C)N=C1N3CCC(CC3)C(=O)NCCCC

DOS

IR

Vibrations