Geometry & MOs

Info

ID:	313648
PubChem CID:	126616792
Reduced:	ON5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	607.107488
ΔH_f, kcal/mol:	46.65
Dipole, Da:	3.92
IP(EA), eV:	-8.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bis(4-chlorophenyl)methyl]-1-cyclopropyl-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]indazole

Drug info:

PubChemData

Smile

C1CN(CCC1O)C2=CC3=C(CC(C3)(CN)C4=CC=CC(=C4)C5=C6C=CNC6=NC=N5)C=C2

DOS

IR

Vibrations