Geometry & MOs

Info

ID:	231672
PubChem CID:	87574418
Reduced:	ClN3H18C21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	358.126382
ΔH_f, kcal/mol:	77.95
Dipole, Da:	6.8
IP(EA), eV:	-9.84(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[1-(2-methylprop-2-enoyloxy)ethyl] 2-hydroxybutanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC4=C(C=C3)C=NC=C4)[NH3+].[Cl-]

DOS

IR

Vibrations