Geometry & MOs

Info

ID:	60439
PubChem CID:	26686068
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	410.244367
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	4.25
IP(EA), eV:	-8.68(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)CN(C)CC3=CC=CC=C3N4CCCCC4

DOS

IR

Vibrations