Geometry & MOs

Info

ID:	12807
PubChem CID:	145796
Reduced:	ClSN3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	293.075346
ΔH_f, kcal/mol:	48.35
Dipole, Da:	3.53
IP(EA), eV:	-8.64(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)SCC2=CC=CC=C2Cl

DOS

IR

Vibrations