Geometry & MOs

Info

ID:	279183
PubChem CID:	103841906
Reduced:	BrClON2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	315.00255
ΔH_f, kcal/mol:	-23.58
Dipole, Da:	6.26
IP(EA), eV:	-9.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(C2)C(=O)C3=CC(=C(C=C3)Cl)Br

DOS

IR

Vibrations