Geometry & MOs

Info

ID:	229473
PubChem CID:	87567774
Reduced:	SN4O5H24C25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	208.131074
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	5.24
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butane-1,4-diol;2-ethoxypropanoic acid

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)N(CC3=COC4=C3C=CC(=C4)OC5=NC6=C(S5)C=CC=N6)C(=O)COC=O

DOS

IR

Vibrations