Geometry & MOs

Info

ID:	136616
PubChem CID:	52074190
Reduced:	N3O5C29H37 (1)
Stoich.:	A3B5C29D37 (1)
Weight, g/mol:	464.218546
ΔH_f, kcal/mol:	-150.07
Dipole, Da:	3.61
IP(EA), eV:	-8.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=C(C=C4)OC)C)OCC

DOS

IR

Vibrations