Geometry & MOs

Info

ID:	424127
PubChem CID:	135121433
Reduced:	O5C11H12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	252.118218
ΔH_f, kcal/mol:	-165.8
Dipole, Da:	6.64
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diaminomethylideneazanium;2-hydroxybutanedioate

Drug info:

PubChemData

Smile

COC(=C(C(=O)O)OC)C1=CC=CC=C1O

DOS

IR

Vibrations