Geometry & MOs

Info

ID:	174600
PubChem CID:	75791796
Reduced:	NO3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	212.128668
ΔH_f, kcal/mol:	-91.68
Dipole, Da:	2.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762985
Charge, e:	1

Chem-info

IUPAC name:

furan-2-ylmethyl-(1-methoxy-1-oxobutan-2-yl)-methylazanium

Drug info:

PubChemData

Smile

CCOC(=O)C(C)[NH+](C)CC1=CC=CO1

DOS

IR

Vibrations