Geometry & MOs

Info

ID:	174599
PubChem CID:	75791791
Reduced:	N2O2C8H19 (1)
Stoich.:	A2B2C8D19 (1)
Weight, g/mol:	212.128668
ΔH_f, kcal/mol:	-74.55
Dipole, Da:	2.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755410
Charge, e:	1

Chem-info

IUPAC name:

(1-ethoxy-1-oxopropan-2-yl)-(furan-2-ylmethyl)-methylazanium

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)[NH+](C)CCO

DOS

IR

Vibrations