Geometry & MOs

Info

ID:	261720
PubChem CID:	103247259
Reduced:	NBr2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	362.92925
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	3.88
IP(EA), eV:	-9.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2,4-dibromoanilino)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CC1C(C(=O)O)NC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations