Geometry & MOs

Info

ID:	318933
PubChem CID:	126653765
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	383.04807
ΔH_f, kcal/mol:	-14.56
Dipole, Da:	8.71
IP(EA), eV:	-8.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-4-oxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN=C4N3C=CC=N4)CC(=O)OC(C)(C)C

DOS

IR

Vibrations