Geometry & MOs

Info

ID:	211425
PubChem CID:	80947329
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	253.161269
ΔH_f, kcal/mol:	-2.7
Dipole, Da:	2.62
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dipropyl-6-propylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)Cl)NC2COC3=CC=CC=C23

DOS

IR

Vibrations