Geometry & MOs

Info

ID:	405470
PubChem CID:	135074046
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	424.15537
ΔH_f, kcal/mol:	-137.05
Dipole, Da:	2.01
IP(EA), eV:	-9.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[benzyl-[[5-(4-chlorophenyl)-1H-pyrrol-2-yl]methyl]amino]but-2-enyl] methyl carbonate

Drug info:

PubChemData

Smile

CC1=CCC[C@@H](C1=O)C/C=C(\C)/CCC(=O)OC

DOS

IR

Vibrations