Geometry & MOs

Info

ID:	129125
PubChem CID:	51071090
Reduced:	N3O3C30H47 (1)
Stoich.:	A3B3C30D47 (1)
Weight, g/mol:	455.314792
ΔH_f, kcal/mol:	-189.97
Dipole, Da:	6.44
IP(EA), eV:	-9.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptanoyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)N1CCC(CC1)C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3=CC=CC=C3C

DOS

IR

Vibrations