Geometry & MOs

Info

ID:	188214
PubChem CID:	77682180
Reduced:	ClOF2N2C24H25 (1)
Stoich.:	ABC2D2E24F25 (1)
Weight, g/mol:	498.272987
ΔH_f, kcal/mol:	-94.95
Dipole, Da:	5.09
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[2-[2-(cyclohexylmethoxy)phenyl]ethynyl]piperidin-1-yl]methyl]piperidin-2-one;oxalic acid

Drug info:

PubChemData

Smile

C=CCCCC1C2(CCNCC2)C3=C(N1C(=O)C4=C(C=CC=C4F)F)C=CC(=C3)Cl

DOS

IR

Vibrations