Geometry & MOs

Info

ID:	378601
PubChem CID:	134224693
Reduced:	ON4F5C24H31 (1)
Stoich.:	AB4C5D24E31 (1)
Weight, g/mol:	211.077933
ΔH_f, kcal/mol:	-264.9
Dipole, Da:	6.28
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCC2=C(C1)C(=NN2)C(N3CCC(CC3)C4=C(C(=C(C=C4)F)F)C(F)(F)F)O

DOS

IR

Vibrations