Geometry & MOs

Info

ID:	391311
PubChem CID:	135004253
Reduced:	NCl2O3H19C24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	359.246044
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	4.72
IP(EA), eV:	-9.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,3R)-2-[(Z)-dec-1-enyl]-3-hydroxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)Cl)/OC(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations