Geometry & MOs

Info

ID:	385999
PubChem CID:	134980497
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	268.182715
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	5.96
IP(EA), eV:	-9.58(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-1,2,2-trimethyl-3-[(1Z,3E)-4-phenylbuta-1,3-dienyl]cyclopentane-1-carbaldehyde

Drug info:

PubChemData

Smile

CCCCC1CC=C(C=C1)C(=O)O

DOS

IR

Vibrations