Geometry & MOs

Info

ID:	407873
PubChem CID:	135080628
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	170.057909
ΔH_f, kcal/mol:	-70.99
Dipole, Da:	5.75
IP(EA), eV:	-9.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(E)-2-butylbut-2-enedioate

Drug info:

PubChemData

Smile

C[C@@H](CCC(=O)C1=CC=C(C=C1)OC)N

DOS

IR

Vibrations