Geometry & MOs

Info

ID:	134169
PubChem CID:	51657434
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	465.346761
ΔH_f, kcal/mol:	-48.13
Dipole, Da:	5.74
IP(EA), eV:	-8.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(5R)-3-[benzyl(methyl)carbamoyl]-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(NN=C1CCC(=O)NCC2=C(N=CC=C2)N3CCC[C@@H](C3)O)C

DOS

IR

Vibrations