Geometry & MOs

Info

ID:	175990
PubChem CID:	75978907
Reduced:	O2N8C23H28 (1)
Stoich.:	A2B8C23D28 (1)
Weight, g/mol:	475.282149
ΔH_f, kcal/mol:	24.28
Dipole, Da:	6.72
IP(EA), eV:	-8.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3CCN(CC3)C(=O)C4=NNC5=CC=CC=C54

DOS

IR

Vibrations