Geometry & MOs

Info

ID:	298957
PubChem CID:	117664452
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	354.183109
ΔH_f, kcal/mol:	-114.49
Dipole, Da:	5.66
IP(EA), eV:	-9.53(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)-6-(2-phenylethyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1CCCC1)CN(C(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations