Geometry & MOs

Info

ID:	380619
PubChem CID:	134971114
Reduced:	CrO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	412.287849
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	3.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.090314
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(penta-1,4-dien-3-yl)-1,3-bis[(1S)-1-phenylethyl]imidazolidine

Drug info:

PubChemData

Smile

CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C.[CH-]=O.[CH-]=O.[CH-]=O.[Cr]

DOS

IR

Vibrations