Geometry & MOs

Info

ID:	441348
PubChem CID:	135234246
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	405.118336
ΔH_f, kcal/mol:	51.41
Dipole, Da:	3.28
IP(EA), eV:	-8.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)pyridin-2-yl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=C2CN(CC2=C1)C(=O)NC3=C(C=CC(=N3)C4=CN=CC=C4)N

DOS

IR

Vibrations