Geometry & MOs

Info

ID:	423114
PubChem CID:	135118960
Reduced:	O4N7C29H35 (1)
Stoich.:	A4B7C29D35 (1)
Weight, g/mol:	313.110965
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	4.74
IP(EA), eV:	-8.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N,3-N-dimethyl-2-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2,3-diamine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)CC2=CC=C(O2)C3=CC=NN3)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations