Geometry & MOs

Info

ID:	406247
PubChem CID:	135076996
Reduced:	CrNO6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	313.149769
ΔH_f, kcal/mol:	-111.27
Dipole, Da:	1.71
IP(EA), eV:	-6.68(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-(1-adamantyl)-3-(dimethylamino)-1-ethoxyprop-2-enylidene]chromium

Drug info:

PubChemData

Smile

CCOC(=[Cr])/C=C(/C12CC3CC(C1)CC(C3)C2)\N(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations