Geometry & MOs

Info

ID:	134170
PubChem CID:	51657435
Reduced:	ON5C28H43 (1)
Stoich.:	AB5C28D43 (1)
Weight, g/mol:	463.331111
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	5.39
IP(EA), eV:	-8.72(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-N-benzyl-N,1-dimethyl-5-[(1-piperidin-1-ylcyclopentyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C[C@@H](CC2)[NH2+]CC3(CCCC3)[NH+]4CCCCC4)C(=N1)C(=O)N(C)CC5=CC=CC=C5

DOS

IR

Vibrations