Geometry & MOs

Info

ID:	31149
PubChem CID:	854799
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	49.92
Dipole, Da:	6.13
IP(EA), eV:	-8.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[c]pyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NNC(=S)N2CC3=CC=CC=C3

DOS

IR

Vibrations