Geometry & MOs

Info

ID:

445423

PubChem CID:

135266967

Reduced:

O2F7N7H30C34 (1)

Stoich.:

A2B7C7D30E34 (1)

Weight, g/mol:

293.058753

ΔHf, kcal/mol:

-286.22

Dipole, Da:

7.27

IP(EA), eV:

 -8.71(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R,4S)-5,5-difluoro-3-methylidene-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide

Drug info:

PubChemData

Smile

CC1CC2=C(C1(F)F)N(N=C2C(F)(F)F)C(=O)NC(CC3=CC(=CC(=C3)F)F)C4=C(C=CC(=N4)C#CC(C)(C)O)C5=CC(=C(C=C5)N)C(=N)N

DOS

IR

Vibrations