Geometry & MOs

Info

ID:	229070
PubChem CID:	87566885
Reduced:	ON2C9H11 (4)
Stoich.:	AB2C9D11 (4)
Weight, g/mol:	210.110338
ΔH_f, kcal/mol:	-93.2
Dipole, Da:	8.96
IP(EA), eV:	-8.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyethoxy)ethanol;2-methoxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)C(NC2=C(C(=NC=N2)N3CCC(CC3)C4=NC5=C(CCCN5)C=C4)N6C=CC=C6)NC(=O)O

DOS

IR

Vibrations