Geometry & MOs

Info

ID:	81922
PubChem CID:	49855355
Reduced:	OC11H18 (3)
Stoich.:	AB11C18 (3)
Weight, g/mol:	414.204239
ΔH_f, kcal/mol:	-205.02
Dipole, Da:	1.42
IP(EA), eV:	-9.08(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethyl]-2-hydroxy-3-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

C[C@H](CC[C@](C)(C(=C)C)O)[C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C

DOS

IR

Vibrations