Geometry & MOs

Info

ID:	226953
PubChem CID:	87559188
Reduced:	NO3H7C10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	202.120509
ΔH_f, kcal/mol:	-137.55
Dipole, Da:	4.87
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylbutyl)butanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(=O)/C=C\C(=O)OCC2=CC=C(C=C2)N=C=O)N=C=O

DOS

IR

Vibrations