Geometry & MOs

Info

ID:	327762
PubChem CID:	126690995
Reduced:	FO2N3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	606.246497
ΔH_f, kcal/mol:	-110.56
Dipole, Da:	1.38
IP(EA), eV:	-8.28(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethoxyphenyl)-[4-[[2-[(2,6-dimethoxyphenyl)-hydroxymethyl]-3-methoxyphenoxy]methyl]-2,5-dimethoxyphenyl]methanol

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1)CC2=C(C=C(C=C2)N3CCOCC3)OCF

DOS

IR

Vibrations