Geometry & MOs

Info

ID:	211369
PubChem CID:	80939923
Reduced:	ClOSN4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	308.120403
ΔH_f, kcal/mol:	-0.28
Dipole, Da:	8.03
IP(EA), eV:	-9.79(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-chloro-2-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)SC2=CC(=NC(=N2)CCC)Cl

DOS

IR

Vibrations