Geometry & MOs

Info

ID:	193385
PubChem CID:	78385941
Reduced:	OC14H16 (3)
Stoich.:	AB14C16 (3)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	4.01
IP(EA), eV:	-8.39(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-pyrazolo[3,4-e]indazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C=CC2=C(C(=C(C(=C2C)C=CC3=CC=C(C=C3)OCCC)C)C=CC4=CC=C(C=C4)OCCC)C

DOS

IR

Vibrations