Geometry & MOs

Info

ID:	391515
PubChem CID:	135006149
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	312.048797
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	2.74
IP(EA), eV:	-9.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methylsulfanyl-4,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

CCCCCCC1=CN=C(NC1=O)C2=CC=CC=C2

DOS

IR

Vibrations