Geometry & MOs

Info

ID:	210491
PubChem CID:	80814312
Reduced:	SN8C12H14 (1)
Stoich.:	AB8C12D14 (1)
Weight, g/mol:	277.136117
ΔH_f, kcal/mol:	123.25
Dipole, Da:	6.68
IP(EA), eV:	-9.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,2-dimethyl-6-N-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)N2C=CN=C2)NCCC3=NC=CS3

DOS

IR

Vibrations