Geometry & MOs

Info

ID:	129134
PubChem CID:	51071099
Reduced:	O3N4C23H34 (1)
Stoich.:	A3B4C23D34 (1)
Weight, g/mol:	415.247107
ΔH_f, kcal/mol:	-143.66
Dipole, Da:	6.14
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyacetyl)-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)N(C)C

DOS

IR

Vibrations