Geometry & MOs

Info

ID:	22102
PubChem CID:	596007
Reduced:	NO5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	237.063722
ΔH_f, kcal/mol:	-98.54
Dipole, Da:	4.57
IP(EA), eV:	-9.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])O

DOS

IR

Vibrations