Geometry & MOs

Info

ID:	207672
PubChem CID:	80436040
Reduced:	ClN2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	244.080097
ΔH_f, kcal/mol:	28.14
Dipole, Da:	2.65
IP(EA), eV:	-9.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(ethylsulfanylmethyl)-6-(2-methylpropyl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NC(=N1)CC2=CC=CC=C2)Cl

DOS

IR

Vibrations