Geometry & MOs

Info

ID:	129135
PubChem CID:	51071100
Reduced:	N3O4C23H33 (1)
Stoich.:	A3B4C23D33 (1)
Weight, g/mol:	433.21322
ΔH_f, kcal/mol:	-187.48
Dipole, Da:	4.56
IP(EA), eV:	-9.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloropropanoyl)-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)COC

DOS

IR

Vibrations