Geometry & MOs

Info

ID:	225452
PubChem CID:	85786955
Reduced:	BrN4O7C13H15 (1)
Stoich.:	AB4C7D13E15 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-130.87
Dipole, Da:	11.42
IP(EA), eV:	-9.84(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)-2-oxoethyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCC(C(=O)O)NC(=O)CBr

DOS

IR

Vibrations