Geometry & MOs

Info

ID:	56803
PubChem CID:	22390440
Reduced:	OC18H22 (1)
Stoich.:	AB18C22 (1)
Weight, g/mol:	375.156534
ΔH_f, kcal/mol:	-47.64
Dipole, Da:	4.25
IP(EA), eV:	-9.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-chloro-4-(3,5-difluorophenyl)phenyl]prop-1-en-2-yl]azocane

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations