Geometry & MOs

Info

ID:	378618
PubChem CID:	134224710
Reduced:	F2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	2.54
Dipole, Da:	9.85
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-propan-2-yl-4,6,7,8-tetrahydro-1H-oxepino[4,3-c]pyrazol-7-yl)propan-2-yl]-4,6-dihydro-1H-thieno[3,4-c]pyrazole 5,5-dioxide

Drug info:

PubChemData

Smile

CC(C)C1=C2C=NC(=CC2=NN1)CC(C)(C)C3=C4C=C(C(=CC4=NN3)F)F

DOS

IR

Vibrations