Geometry & MOs

Info

ID:	313661
PubChem CID:	126616830
Reduced:	Cl2N2F3O4H23C30 (1)
Stoich.:	A2B2C3D4E23F30 (1)
Weight, g/mol:	441.197176
ΔH_f, kcal/mol:	-183.37
Dipole, Da:	2.24
IP(EA), eV:	-9.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)-phenylmethyl]-1-cyclopropyl-3-piperidin-4-ylindazole

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations