Geometry & MOs

Info

ID:	425445
PubChem CID:	135126359
Reduced:	NO5C34H69 (1)
Stoich.:	AB5C34D69 (1)
Weight, g/mol:	301.128963
ΔH_f, kcal/mol:	-357.7
Dipole, Da:	3.92
IP(EA), eV:	-9.33(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OCCCCCCCCCCCCCC)O)CN)O

DOS

IR

Vibrations