Geometry & MOs

Info

ID:	313663
PubChem CID:	126616832
Reduced:	ClN3O3C33H36 (1)
Stoich.:	AB3C3D33E36 (1)
Weight, g/mol:	557.24452
ΔH_f, kcal/mol:	-62.36
Dipole, Da:	3.33
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-[(4-chlorophenyl)-hydroxy-phenylmethyl]-1-cyclopropylindazol-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN(C3=C2C=C(C=C3)CC4=C(C(=CC=C4)O)C5=CC=C(C=C5)Cl)C6CC6

DOS

IR

Vibrations