Geometry & MOs

Info

ID:	221913
PubChem CID:	85292693
Reduced:	ClON2C24H28 (1)
Stoich.:	ABC2D24E28 (1)
Weight, g/mol:	386.22458
ΔH_f, kcal/mol:	-15.91
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.113034
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-1-trityloxyhex-4-en-3-ol

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)[NH+]3C(CC(CC3C(=O)N2)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations