Geometry & MOs

Info

ID:	378485
PubChem CID:	134224569
Reduced:	NO6C17H29 (1)
Stoich.:	AB6C17D29 (1)
Weight, g/mol:	473.185016
ΔH_f, kcal/mol:	-300.96
Dipole, Da:	5.34
IP(EA), eV:	-9.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-[hydroxy(methylamino)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(CCOC(C)(C)OCCCC(=O)N1C(=O)CCC1=O)OC

DOS

IR

Vibrations