Geometry & MOs

Info

ID:	182357
PubChem CID:	76880157
Reduced:	BrClON2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	302.082205
ΔH_f, kcal/mol:	5.33
Dipole, Da:	6.54
IP(EA), eV:	-8.26(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]-3H-pyridin-6-one

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=C2)Br)NC1=C3C=C(C=CC3=O)Cl

DOS

IR

Vibrations