Geometry & MOs

Info

ID:	226498
PubChem CID:	87457595
Reduced:	N5C17H21 (1)
Stoich.:	A5B17C21 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	112.81
Dipole, Da:	4.76
IP(EA), eV:	-8.55(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-5-methylhexa-2,4-dienedioic acid

Drug info:

PubChemData

Smile

C#CCN1CCC2=C(CC1)C=C(C=C2)C3(NC(=CC=N3)N)N

DOS

IR

Vibrations