Geometry & MOs

Info

ID:	313646
PubChem CID:	126616788
Reduced:	N5C26H27 (1)
Stoich.:	A5B26C27 (1)
Weight, g/mol:	609.194983
ΔH_f, kcal/mol:	102.62
Dipole, Da:	1.83
IP(EA), eV:	-8.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC(C1)NC2=NC(=C3C=CNC3=N2)C4=CC(=CC=C4)C5(CC6=CC=CC=C6C5)CN

DOS

IR

Vibrations