Geometry & MOs

Info

ID:	146299
PubChem CID:	53666555
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	384.225329
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	2.26
IP(EA), eV:	-8.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-enylcyclohexyl)-4-[4-(4-fluorophenyl)phenyl]benzene

Drug info:

PubChemData

Smile

CC(=O)NCCC1=CC=CC2=C1C(=C(C=C2)OC)CCCCC=C

DOS

IR

Vibrations