Geometry & MOs

Info

ID:	313679
PubChem CID:	126617167
Reduced:	OCl2N4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	621.216112
ΔH_f, kcal/mol:	37.68
Dipole, Da:	1.43
IP(EA), eV:	-8.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(2-acetyloxyethyl)-5-[bis(4-chlorophenyl)methyl]indazol-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CNCCC1NC2=NNC3=C2C=C(C=C3)C(C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations