Geometry & MOs

Info

ID:	267378
PubChem CID:	103582046
Reduced:	BrNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	296.05243
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	3.9
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)C2=COC=C2

DOS

IR

Vibrations