Geometry & MOs

Info

ID:	325737
PubChem CID:	126684713
Reduced:	NO6C26H33 (1)
Stoich.:	AB6C26D33 (1)
Weight, g/mol:	194.112922
ΔH_f, kcal/mol:	-256.07
Dipole, Da:	4.25
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylbutyl)-5-ethenylthiophene

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)CC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations