Geometry & MOs

Info

ID:	129137
PubChem CID:	51071105
Reduced:	FN3O4C27H32 (1)
Stoich.:	AB3C4D27E32 (1)
Weight, g/mol:	437.188148
ΔH_f, kcal/mol:	-196.04
Dipole, Da:	6.35
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropropanoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N[C@@H]3CCCC[C@H]3NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations