Geometry & MOs

Info

ID:	313662
PubChem CID:	126616831
Reduced:	ClN3C28H28 (1)
Stoich.:	AB3C28D28 (1)
Weight, g/mol:	557.24452
ΔH_f, kcal/mol:	107.96
Dipole, Da:	3.4
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-[[2-(4-chlorophenyl)-3-hydroxyphenyl]methyl]-1-cyclopropylindazol-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1N2C3=C(C=C(C=C3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C(=N2)C6CCNCC6

DOS

IR

Vibrations