Geometry & MOs

Info

ID:	376880
PubChem CID:	134222910
Reduced:	NC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	534.282883
ΔH_f, kcal/mol:	17.49
Dipole, Da:	2.21
IP(EA), eV:	-8.05(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[4-(1,3-dihydroxy-2-methylpropyl)-2-methoxy-6-methylphenoxy]-4-hydroxybutan-2-yl]-2,6-dimethoxyphenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCC1=C(C=CC(=C1)NCCCC2=CC(=C(C=C2)N)C)C=C

DOS

IR

Vibrations