Geometry & MOs

Info

ID:	400807
PubChem CID:	135049152
Reduced:	BO2C31H49 (1)
Stoich.:	AB2C31D49 (1)
Weight, g/mol:	322.13887
ΔH_f, kcal/mol:	-172.75
Dipole, Da:	2.58
IP(EA), eV:	-8.6(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-phenylprop-2-enylidene]chromium

Drug info:

PubChemData

Smile

B(C1CCCCC1)(C2CCCCC2)O/C(=C\C)/O[C@@H]3C[C@@H](CC[C@H]3C(C)(C)C4=CC=CC=C4)C

DOS

IR

Vibrations