Geometry & MOs

Info

ID:	415743
PubChem CID:	135088743
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	341.142265
ΔH_f, kcal/mol:	-78.28
Dipole, Da:	3.7
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=C(OC4=C3C=C(C=C4)OCC5=CC=CC=C5)C

DOS

IR

Vibrations