Geometry & MOs

Info

ID:	277127
PubChem CID:	103826873
Reduced:	BrClON2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	315.00255
ΔH_f, kcal/mol:	11.2
Dipole, Da:	3.66
IP(EA), eV:	-10.11(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CN(CC#N)C(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations