Geometry & MOs

Info

ID:	405367
PubChem CID:	135073694
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-169.32
Dipole, Da:	1.33
IP(EA), eV:	-8.26(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1CC(C/C=C\CO)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations