Geometry & MOs

Info

ID:	396113
PubChem CID:	135027420
Reduced:	CuNO4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-0.62
Dipole, Da:	7.82
IP(EA), eV:	-8.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S)-5-methyl-1-(3-methylphenyl)hex-1-en-3-ol

Drug info:

PubChemData

Smile

CC(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Cu+]

DOS

IR

Vibrations