Geometry & MOs

Info

ID:	402529
PubChem CID:	135056296
Reduced:	FNO2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	304.195779
ΔH_f, kcal/mol:	-89.86
Dipole, Da:	2.93
IP(EA), eV:	-8.51(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N1C(C)C)C3=CC=C(C=C3)F

DOS

IR

Vibrations