Geometry & MOs

Info

ID:	164813
PubChem CID:	74457527
Reduced:	FN5O5C25H30 (1)
Stoich.:	AB5C5D25E30 (1)
Weight, g/mol:	328.151096
ΔH_f, kcal/mol:	-207.28
Dipole, Da:	5.24
IP(EA), eV:	-9.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CNC3=C(C=CC(=C3)C(=O)OC)F

DOS

IR

Vibrations