Geometry & MOs

Info

ID:	229429
PubChem CID:	87567631
Reduced:	O4N7C28H35 (1)
Stoich.:	A4B7C28D35 (1)
Weight, g/mol:	194.115424
ΔH_f, kcal/mol:	-61.38
Dipole, Da:	2.2
IP(EA), eV:	-8.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxypropanoic acid;propane-1,2-diol

Drug info:

PubChemData

Smile

CCCN(C1=NC2=C(CCCN2)C=C1)C3=NC=NC(=C3)N(CC)CCC(=O)ONC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations