Geometry & MOs

Info

ID:	224874
PubChem CID:	85540280
Reduced:	NOBr2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	157.050084
ΔH_f, kcal/mol:	-19.96
Dipole, Da:	3.84
IP(EA), eV:	-9.47(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-methoxycarbonyl-3-methylbut-3-enoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(=CC1=CC=C(C=C1)Br)Br

DOS

IR

Vibrations