Geometry & MOs

Info

ID:	59962
PubChem CID:	26512261
Reduced:	N2O3C20H33 (1)
Stoich.:	A2B3C20D33 (1)
Weight, g/mol:	319.165782
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	4.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758335
Charge, e:	1

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)C[NH+](C)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations