Geometry & MOs

Info

ID:	137588
PubChem CID:	52230628
Reduced:	N3O4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	274.180704
ΔH_f, kcal/mol:	-130.33
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757216
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dimethylphenyl)methyl-(furan-2-ylmethyl)-(2-methoxyethyl)azanium

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+](C)CC2=C(ON=C2C)C

DOS

IR

Vibrations