Geometry & MOs

Info

ID:

37821

PubChem CID:

8024864

Reduced:

SN2O2C18H21 (1)

Stoich.:

AB2C2D18E21 (1)

Weight, g/mol:

213.136493

ΔHf, kcal/mol:

-8.41

Dipole, Da:

7.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.275263

Charge, e:

 0

Chem-info

IUPAC name:

2,2-diethoxy-N-(furan-2-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

C1CC(CCC1[NH2+]CC2=CC=C(O2)C3=NC4=CC=CC=C4S3)O

DOS

IR

Vibrations