Geometry & MOs

Info

ID:	165463
PubChem CID:	74552920
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	322.285838
ΔH_f, kcal/mol:	23.77
Dipole, Da:	3.78
IP(EA), eV:	-9.41(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-ethylhexyl-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CCCC1=CC(=O)C2=CC(=C)C=CC2=N1

DOS

IR

Vibrations