Geometry & MOs

Info

ID:	210263
PubChem CID:	80782178
Reduced:	SN4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	268.054945
ΔH_f, kcal/mol:	56.18
Dipole, Da:	1.94
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC)N(C)CC2=CC=CS2

DOS

IR

Vibrations