Geometry & MOs

Info

ID:	126148
PubChem CID:	50953248
Reduced:	SN3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	44.22
Dipole, Da:	4.69
IP(EA), eV:	-8.83(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN(C)CC2=C(C=CS2)C

DOS

IR

Vibrations