Geometry & MOs

Info

ID:	406920
PubChem CID:	135078934
Reduced:	BrO3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-64.7
Dipole, Da:	3.55
IP(EA), eV:	-9.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-(3,5-dimethylphenyl)-3-nitroprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OC2C=CC(=O)O2)Br

DOS

IR

Vibrations