Geometry & MOs

Info

ID:	218417
PubChem CID:	85089411
Reduced:	N4O7C22H32 (1)
Stoich.:	A4B7C22D32 (1)
Weight, g/mol:	464.219889
ΔH_f, kcal/mol:	-291.83
Dipole, Da:	3.42
IP(EA), eV:	-9.39(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-2,5,6-tris(phenylmethoxy)cyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCCCCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCCOC1=CC=C(C=C1)C(=N)N

DOS

IR

Vibrations