Geometry & MOs

Info

ID:	48175
PubChem CID:	10537696
Reduced:	NO5H9C11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-92.92
Dipole, Da:	3.88
IP(EA), eV:	-9.75(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl (E)-3-(3-carbamoylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1

DOS

IR

Vibrations