Geometry & MOs

Info

ID:	380788
PubChem CID:	134971349
Reduced:	BrN2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	478.30831
ΔH_f, kcal/mol:	48.87
Dipole, Da:	2.85
IP(EA), eV:	-8.2(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-cyclohexyl-[(4R,5R)-5-[(R)-cyclohexyl-hydroxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol

Drug info:

PubChemData

Smile

CN(C)C1C2=CC=CC=C2C3=CC=CC=C3N1CCBr

DOS

IR

Vibrations