Geometry & MOs

Info

ID:	303893
PubChem CID:	124490725
Reduced:	ClNH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	252.022104
ΔH_f, kcal/mol:	40.52
Dipole, Da:	3.39
IP(EA), eV:	-9.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(1R)-1-chloroethyl]-6-phenylpyrimidine

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=CC(=N1)Cl)C2=CC=CC=C2)Cl

DOS

IR

Vibrations