Geometry & MOs

Info

ID:	160112
PubChem CID:	57304783
Reduced:	N2O7H14C18 (1)
Stoich.:	A2B7C14D18 (1)
Weight, g/mol:	420.251189
ΔH_f, kcal/mol:	-134.36
Dipole, Da:	9.8
IP(EA), eV:	-9.44(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[6-(3,4-dimethoxyphenyl)-3-hydroxyhex-1-enyl]-1-hydroxycyclohexyl]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=C(C2=CC3=NON=C3C=C2)C(=O)O)C(=O)O)OC

DOS

IR

Vibrations