Geometry & MOs

Info

ID:	187369
PubChem CID:	77565712
Reduced:	O5N7C25H31 (1)
Stoich.:	A5B7C25D31 (1)
Weight, g/mol:	344.03856
ΔH_f, kcal/mol:	-97.32
Dipole, Da:	7.3
IP(EA), eV:	-9.12(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-4-phenoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN=C(O1)CNC(=O)C(C(C)(C)C)NC(=O)C2=NN(C3=CC=CC=C32)CCCCC#N

DOS

IR

Vibrations