Geometry & MOs

Info

ID:	210177
PubChem CID:	80769204
Reduced:	SCl2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	32.17
Dipole, Da:	7.31
IP(EA), eV:	-8.72(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)SC)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations