Geometry & MOs

Info

ID:	386709
PubChem CID:	134982630
Reduced:	O4C31H48 (1)
Stoich.:	A4B31C48 (1)
Weight, g/mol:	200.156501
ΔH_f, kcal/mol:	-191.9
Dipole, Da:	4.99
IP(EA), eV:	-8.84(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E,3Z)-4-methylocta-1,3-dienyl]benzene

Drug info:

PubChemData

Smile

C/C=C(\C)/C[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/C[C@@H](C)/C=C(/C)\C=C\[C@H]1CCCC(=O)O1)O

DOS

IR

Vibrations