Geometry & MOs

Info

ID:	430658
PubChem CID:	135170724
Reduced:	BrNO3C7H8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	3.99
IP(EA), eV:	-10.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-oxo-4-propan-2-yl-2H-pyrrol-2-yl) butanoate

Drug info:

PubChemData

Smile

CC(=O)OC1C=C(C(=O)N1C)Br

DOS

IR

Vibrations