Geometry & MOs

Info

ID:	189908
PubChem CID:	77921708
Reduced:	ClN3O4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	494.360739
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	3.03
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]methanol

Drug info:

PubChemData

Smile

CC1OC(O1)CC2=CC(=C(C=C2)OC3CC4CCC(C3)N4C(=O)N5C=CN=C5)Cl

DOS

IR

Vibrations