Geometry & MOs

Info

ID:	437353
PubChem CID:	135226162
Reduced:	SC20H36 (1)
Stoich.:	AB20C36 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	3.05
IP(EA), eV:	-8.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-2-tert-butyl-8-(2,3-dimethylbutanoyl)-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazin-1-one

Drug info:

PubChemData

Smile

CCCC(C1C(=C)C1(CCC)C(C)(C)C)C(=S)C(C)(C)C

DOS

IR

Vibrations