Geometry & MOs

Info

ID:	210944
PubChem CID:	80875859
Reduced:	ClOSN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-4.11
Dipole, Da:	2.3
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-propoxyethoxy)-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OC2=NC(=NC(=C2)NC)SC

DOS

IR

Vibrations