Geometry & MOs

Info

ID:	210230
PubChem CID:	80777047
Reduced:	FN4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	248.109568
ΔH_f, kcal/mol:	5.58
Dipole, Da:	2.98
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N,5-dimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NCC2=CC=CC=C2F)N

DOS

IR

Vibrations