Geometry & MOs

Info

ID:	129130
PubChem CID:	51071095
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	525.1627
ΔH_f, kcal/mol:	-105.14
Dipole, Da:	5.87
IP(EA), eV:	-9.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromobenzoyl)-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)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations