Geometry & MOs

Info

ID:	400827
PubChem CID:	135049177
Reduced:	BNSO4C35H52 (1)
Stoich.:	ABCD4E35F52 (1)
Weight, g/mol:	400.097793
ΔH_f, kcal/mol:	-220.24
Dipole, Da:	5.24
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;[(E)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybut-2-enylidene]chromium

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)O/C(=C\C)/O[C@H](C1=CC=CC=C1)[C@H](C)N(C)S(=O)(=O)C2=C3CCCCC3=CC4=C2CCCC4

DOS

IR

Vibrations