Geometry & MOs

Info

ID:	399848
PubChem CID:	135043128
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-64.63
Dipole, Da:	2.59
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethoxy-2-propan-2-ylpent-4-enyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C(C(C2=CC=CC=C21)Br)N3C(=O)CCC3=O

DOS

IR

Vibrations