Geometry & MOs

Info

ID:	271226
PubChem CID:	103648700
Reduced:	BrN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	242.126657
ΔH_f, kcal/mol:	-107.84
Dipole, Da:	2.31
IP(EA), eV:	-8.29(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC2CCCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations