Geometry & MOs

Info

ID:	412075
PubChem CID:	135084938
Reduced:	ORhN2C30H43 (1)
Stoich.:	ABC2D30E43 (1)
Weight, g/mol:	404.319149
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	14.74
IP(EA), eV:	-9.2(-2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,7-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazole

Drug info:

PubChemData

Smile

[CH3-].CC1=CC=C(C2C1CCC2CCN3[CH-]N(C=C3)C4=C(C=CC=C4C(C)C)C(C)C)C.[CH-]=O.[Rh+3]

DOS

IR

Vibrations