Geometry & MOs

Info

ID:	405638
PubChem CID:	135074748
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-165.21
Dipole, Da:	0.86
IP(EA), eV:	-10.09(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[benzyl-[(3-hydroxy-2-methoxyphenyl)methyl]amino]but-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

COC(=O)C1(CC12CCCCC2CCC=C)C(=O)OC

DOS

IR

Vibrations