Geometry & MOs

Info

ID:	378616
PubChem CID:	134224708
Reduced:	S2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	402.245333
ΔH_f, kcal/mol:	116.7
Dipole, Da:	7.02
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6,6-trimethyl-3-[1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-thiepino[4,3-c]pyrazol-7-yl)propan-2-yl]-4,7-dihydropyrano[4,3-c]pyrazole

Drug info:

PubChemData

Smile

CS1(CS1)C2=C3C=C(C=CC3=NN2)C#N

DOS

IR

Vibrations