Geometry & MOs

Info

ID:	297267
PubChem CID:	117614305
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	6.12
IP(EA), eV:	-8.99(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7S)-6-(3-amino-4-butoxypyrazolo[4,3-c]pyridin-1-yl)spiro[2.5]octane-7-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=CC=NC(=O)C3=C(N2)NC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations