Geometry & MOs

Info

ID:

43696

PubChem CID:

10321660

Reduced:

O2F3N5H18C23 (1)

Stoich.:

A2B3C5D18E23 (1)

Weight, g/mol:

453.178788

ΔHf, kcal/mol:

-84.71

Dipole, Da:

9.26

IP(EA), eV:

 -6.78(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(4-fluoropiperidine-1-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1[C@@H]2C3=CC=CC=C3[C@H](C1(C4=NC=CN4)C5=NC=CN5)C6=CC=CC=[N+]26.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations