Geometry & MOs

Info

ID:	277065
PubChem CID:	103826557
Reduced:	BrClON2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	363.9978
ΔH_f, kcal/mol:	6.54
Dipole, Da:	2.02
IP(EA), eV:	-9.39(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations