Geometry & MOs

Info

ID:

85132

PubChem CID:

49872023

Reduced:

O4N7H43C44 (1)

Stoich.:

A4B7C43D44 (1)

Weight, g/mol:

359.099395

ΔHf, kcal/mol:

-31.62

Dipole, Da:

5.01

IP(EA), eV:

 -8.66(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3-methyl-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C3=NC4=C(N3)C=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N=C(N7)[C@@H]8CCCN8C(=O)C9(CC9)C1=CC=CC=C1

DOS

IR

Vibrations