Geometry & MOs

Info

ID:	381366
PubChem CID:	134972083
Reduced:	O7C21H26 (1)
Stoich.:	A7B21C26 (1)
Weight, g/mol:	450.188983
ΔH_f, kcal/mol:	-241.21
Dipole, Da:	5.41
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-dimethoxy-6-(2-methoxyethoxymethoxymethyl)phenyl]-[2-(hydroxymethyl)-3,5-dimethoxyphenyl]methanone

Drug info:

PubChemData

Smile

COCCOCOCC1=CC=CC=C1C(=O)C2=C(C(=CC(=C2)OC)OC)CO

DOS

IR

Vibrations