Geometry & MOs

Info

ID:	299141
PubChem CID:	117672680
Reduced:	OC18H23 (2)
Stoich.:	AB18C23 (2)
Weight, g/mol:	400.209718
ΔH_f, kcal/mol:	-90.99
Dipole, Da:	2.39
IP(EA), eV:	-8.72(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 4-[4-[3-(2-hydroxyethoxymethoxy)propyl]-2,5-dimethoxyphenyl]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCCCC2)C(C3=CC=CC(=C3)CO)C4=CC(=C(C=C4C)CO)C5CCCCC5)C

DOS

IR

Vibrations