Geometry & MOs

Info

ID:	129133
PubChem CID:	51071098
Reduced:	F3N3O3C28H32 (1)
Stoich.:	A3B3C3D28E32 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-276.9
Dipole, Da:	7.65
IP(EA), eV:	-9.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,1-N-dimethyl-4-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations