Geometry & MOs

Info

ID:	211357
PubChem CID:	80937852
Reduced:	N6C11H22 (1)
Stoich.:	A6B11C22 (1)
Weight, g/mol:	330.118418
ΔH_f, kcal/mol:	31.15
Dipole, Da:	3.95
IP(EA), eV:	-8.87(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-(3-ethylsulfonylthiomorpholin-4-yl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)NN)NCCN(C)CC

DOS

IR

Vibrations