Geometry & MOs

Info

ID:	325748
PubChem CID:	126684762
Reduced:	N2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	460.19196
ΔH_f, kcal/mol:	81.11
Dipole, Da:	2.32
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-[5-[2-[(5-butylthiophen-2-yl)methyl]butanoyl]-4-hydroxy-6-oxopyran-2-yl]hept-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C=CC=N1

DOS

IR

Vibrations