Geometry & MOs

Info

ID:	149116
PubChem CID:	53788788
Reduced:	BrC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	339.088892
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	2.51
IP(EA), eV:	-8.95(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[nitro(phenyl)methyl] 2-(methylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C)(C)C)Br)CC(C)C

DOS

IR

Vibrations