Geometry & MOs

Info

ID:	210089
PubChem CID:	80760694
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	294.070595
ΔH_f, kcal/mol:	78.4
Dipole, Da:	8.49
IP(EA), eV:	-8.71(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-chlorophenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)NC2=CC=CC(=C2)C#N)C

DOS

IR

Vibrations