Geometry & MOs

Info

ID:	147725
PubChem CID:	53787382
Reduced:	BrN2O4C14H25 (1)
Stoich.:	AB2C4D14E25 (1)
Weight, g/mol:	420.223136
ΔH_f, kcal/mol:	-147.08
Dipole, Da:	2.76
IP(EA), eV:	-9.95(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4-chloro-3-fluorophenyl)cyclohexyl]cyclohexyl]-5-prop-1-enyl-1,3-dioxane

Drug info:

PubChemData

Smile

CC(COC(=O)NC1CCCCCCCCC1)([N+](=O)[O-])Br

DOS

IR

Vibrations