Geometry & MOs

Info

ID:	193185
PubChem CID:	78354431
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	334.182733
ΔH_f, kcal/mol:	47.46
Dipole, Da:	7.6
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butan-2-ylsulfanyl-1-(3,4-dimethylphenyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2CC(NN2)C(=O)NN=C(C)C3=CC=CC=C3

DOS

IR

Vibrations