Geometry & MOs

Info

ID:	210241
PubChem CID:	80780269
Reduced:	O2N6C11H20 (1)
Stoich.:	A2B6C11D20 (1)
Weight, g/mol:	320.112939
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	4.83
IP(EA), eV:	-9.19(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopropyl-6-N-ethyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)OC)N(C)CC(=O)NC

DOS

IR

Vibrations