Geometry & MOs

Info

ID:	129136
PubChem CID:	51071101
Reduced:	ClN3O3C23H32 (1)
Stoich.:	AB3C3D23E32 (1)
Weight, g/mol:	481.237685
ΔH_f, kcal/mol:	-164.69
Dipole, Da:	5.6
IP(EA), eV:	-9.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations