Geometry & MOs

Info

ID:	3758
PubChem CID:	10121
Reduced:	C5H7 (8)
Stoich.:	A5B7 (8)
Weight, g/mol:	536.438202
ΔH_f, kcal/mol:	48.02
Dipole, Da:	1.44
IP(EA), eV:	-7.9(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl)-1,3,3-trimethylcyclohexene

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C

DOS

IR

Vibrations