Geometry & MOs

Info

ID:	180955
PubChem CID:	76711190
Reduced:	NO12C40H71 (1)
Stoich.:	AB12C40D71 (1)
Weight, g/mol:	589.20114
ΔH_f, kcal/mol:	-626.75
Dipole, Da:	6.84
IP(EA), eV:	-9.96(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-carbamoyl-6-phenylpiperidin-3-yl]amino]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)COCCOCCCC(=O)COCCOCCNC(=O)CCC(CC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O

DOS

IR

Vibrations