Geometry & MOs

Info

ID:	283463
PubChem CID:	103983725
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	358.00837
ΔH_f, kcal/mol:	23.48
Dipole, Da:	3.35
IP(EA), eV:	-8.95(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)/C=C\2/CCCNCC2

DOS

IR

Vibrations