Geometry & MOs

Info

ID:	129131
PubChem CID:	51071096
Reduced:	BrN3O3C27H32 (1)
Stoich.:	AB3C3D27E32 (1)
Weight, g/mol:	477.262757
ΔH_f, kcal/mol:	-122.12
Dipole, Da:	4.67
IP(EA), eV:	-8.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxybenzoyl)-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=C4Br

DOS

IR

Vibrations