Geometry & MOs

Info

ID:	204787
PubChem CID:	80008208
Reduced:	BrClN3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	273.103275
ΔH_f, kcal/mol:	84.93
Dipole, Da:	2.35
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-2-piperidin-2-ylpyrimidine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=CN(N=C2)C3=C(C=C(C=C3)Cl)N

DOS

IR

Vibrations