Geometry & MOs

Info

ID:	275470
PubChem CID:	103816248
Reduced:	BrOSN2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	315.9978
ΔH_f, kcal/mol:	20.13
Dipole, Da:	4.76
IP(EA), eV:	-9.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-4-chlorophenyl)methylamino]-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CN=C(C=C2)Br

DOS

IR

Vibrations