Geometry & MOs

Info

ID:

184502

PubChem CID:

77170426

Reduced:

N3O7C28H37 (1)

Stoich.:

A3B7C28D37 (1)

Weight, g/mol:

488.251144

ΔHf, kcal/mol:

-245.32

Dipole, Da:

8.72

IP(EA), eV:

 -8.48(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-pyridin-4-yl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CNC1C2=CC(=C(C=C2)OC)C3=C(C=CC(=C3)CC(NC(=O)C(NC1=O)CCCCOC)C(=O)OC)OC

DOS

IR

Vibrations