Geometry & MOs

Info

ID:	438930
PubChem CID:	135228691
Reduced:	O2N3C29H39 (1)
Stoich.:	A2B3C29D39 (1)
Weight, g/mol:	330.272279
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	7.73
IP(EA), eV:	-8.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-but-2-en-2-yl]-2-[4-(4-ethylcyclohexyl)pentan-2-yl]-3-fluorobenzene

Drug info:

PubChemData

Smile

CC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/N)/C=NCC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations