Geometry & MOs

Info

ID:	261886
PubChem CID:	103257022
Reduced:	BrNO4C10H18 (1)
Stoich.:	ABC4D10E18 (1)
Weight, g/mol:	215.115758
ΔH_f, kcal/mol:	-193.13
Dipole, Da:	4.35
IP(EA), eV:	-8.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(4-hydroxyoxan-4-yl)methylamino]but-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CNCC1(CCOCC1)O)Br

DOS

IR

Vibrations