Geometry & MOs

Info

ID:

192901

PubChem CID:

78323356

Reduced:

ON6H20C25 (1)

Stoich.:

AB6C20D25 (1)

Weight, g/mol:

592.154971

ΔHf, kcal/mol:

114.33

Dipole, Da:

2.67

IP(EA), eV:

 -8.6(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-(3-chloropyridin-2-yl)-5-(difluoromethyl)pyrazole-3-carbonyl]amino]-5-methyl-N-[(2E)-2-phenylmethoxyiminoethyl]-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=NC(=NN3C=C2)C4=CC(=CC=C4)C(=O)N)NCC5=CC=CC=N5

DOS

IR

Vibrations