Geometry & MOs

Info

ID:	129122
PubChem CID:	51071087
Reduced:	N3O3F6C29H31 (1)
Stoich.:	A3B3C6D29E31 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-441.14
Dipole, Da:	6.88
IP(EA), eV:	-9.7(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclobutanecarbonyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3CCN(CC3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations