Geometry & MOs

Info

ID:	283570
PubChem CID:	103989679
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	370.04475
ΔH_f, kcal/mol:	24.33
Dipole, Da:	4.36
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2-chlorophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1(CCC1)CNC2=C(C=CN=C2)C#N

DOS

IR

Vibrations