Geometry & MOs

Info

ID:	314678
PubChem CID:	126622699
Reduced:	OCl2N2C6H12 (1)
Stoich.:	AB2C2D6E12 (1)
Weight, g/mol:	565.153512
ΔH_f, kcal/mol:	-75.27
Dipole, Da:	4.03
IP(EA), eV:	-9.11(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[bis(4-chlorophenyl)methyl]-1-(2-ethoxy-2-oxoethyl)indazol-3-yl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC[NH+](CC1)C(=O)Cl.[Cl-]

DOS

IR

Vibrations