Geometry & MOs

Info

ID:	136598
PubChem CID:	52071618
Reduced:	N3O4C23H33 (1)
Stoich.:	A3B4C23D33 (1)
Weight, g/mol:	533.276395
ΔH_f, kcal/mol:	-129.98
Dipole, Da:	6.22
IP(EA), eV:	-8.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(C)C(=O)C1CCN(CC1)CC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations