Geometry & MOs

Info

ID:	378522
PubChem CID:	134224609
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	460.153381
ΔH_f, kcal/mol:	-106.82
Dipole, Da:	1.24
IP(EA), eV:	-8.62(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCNC(CC1=CC(=C(C(=C1)C)O)C)C(=O)C

DOS

IR

Vibrations