Geometry & MOs

Info

ID:	164677
PubChem CID:	74436583
Reduced:	NO4C20H31 (1)
Stoich.:	AB4C20D31 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-197.98
Dipole, Da:	4.02
IP(EA), eV:	-9.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

buta-1,3-dienyl 4,8-dimethylnona-3,7-dienoate

Drug info:

PubChemData

Smile

CCCCC(CC(=O)C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)OC

DOS

IR

Vibrations