Geometry & MOs

Info

ID:	389790
PubChem CID:	134995252
Reduced:	PC17H27 (1)
Stoich.:	AB17C27 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	1.79
IP(EA), eV:	-8.19(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(2Z,4E)-hexa-2,4-dienyl]-2-methylpropanedioate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)P2C(CCCC2(C)C)(C)C

DOS

IR

Vibrations