Geometry & MOs

Info

ID:	299336
PubChem CID:	117682682
Reduced:	SN2O6C27H42 (1)
Stoich.:	AB2C6D27E42 (1)
Weight, g/mol:	304.195779
ΔH_f, kcal/mol:	-240.06
Dipole, Da:	5.33
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3Z,5E,7E)-9-chloro-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(CCC[C@@]2(C(O2)CC(OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C3=CSC(=N3)CN)/C)C)C)O

DOS

IR

Vibrations