Geometry & MOs

Info

ID:	33797
PubChem CID:	7888157
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	417.05757
ΔH_f, kcal/mol:	-126.88
Dipole, Da:	5.16
IP(EA), eV:	-9.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)ethyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations