Geometry & MOs

Info

ID:	228397
PubChem CID:	87564197
Reduced:	OSN4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	166.084124
ΔH_f, kcal/mol:	97.31
Dipole, Da:	9.55
IP(EA), eV:	-8.74(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxypropane-1,2-diol;formic acid

Drug info:

PubChemData

Smile

CCC1C2=C(C=C([NH+]1[O-])C3=CC=C(S3)C#N)C(=CC(=N2)N)C

DOS

IR

Vibrations