Geometry & MOs

Info

ID:	272910
PubChem CID:	103765224
Reduced:	BrClNOC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	358.04475
ΔH_f, kcal/mol:	-59.98
Dipole, Da:	3.45
IP(EA), eV:	-9.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C(C)(C)C)NC(=O)C1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations