Geometry & MOs

Info

ID:	43456
PubChem CID:	10321327
Reduced:	FeC12O14H22 (1)
Stoich.:	AB12C14D22 (1)
Weight, g/mol:	446.06036
ΔH_f, kcal/mol:	-621.13
Dipole, Da:	3.3
IP(EA), eV:	-10.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

C([C@@H]([C@@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O)O.C([C@@H]([C@@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O)O.[Fe+2]

DOS

IR

Vibrations