Geometry & MOs

Info

ID:	48193
PubChem CID:	10537821
Reduced:	BrC12H13 (1)
Stoich.:	AB12C13 (1)
Weight, g/mol:	237.027337
ΔH_f, kcal/mol:	24.14
Dipole, Da:	2.24
IP(EA), eV:	-8.97(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-hydroxy-4-(2-nitrophenyl)-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

C1C=C(C2=CC=CC=C21)CCCBr

DOS

IR

Vibrations