Geometry & MOs

Info

ID:	391287
PubChem CID:	135004129
Reduced:	BrOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	596.222994
ΔH_f, kcal/mol:	16.42
Dipole, Da:	2.76
IP(EA), eV:	-9.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;[(3S)-1-[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]oxy-3-phenylheptylidene]chromium

Drug info:

PubChemData

Smile

C[C@@H](/C=C/CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations