Geometry & MOs

Info

ID:	378477
PubChem CID:	134224560
Reduced:	O7H12C14 (1)
Stoich.:	A7B12C14 (1)
Weight, g/mol:	474.169031
ΔH_f, kcal/mol:	-248.51
Dipole, Da:	1.33
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=C(C(=C(C(=C2O)O)O)O)O

DOS

IR

Vibrations