Geometry & MOs

Info

ID:	126469
PubChem CID:	50966282
Reduced:	SN3O3C15H31 (1)
Stoich.:	AB3C3D15E31 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	-161.54
Dipole, Da:	1.13
IP(EA), eV:	-8.51(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,6-N,6-N-trimethyl-4-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)N(CCN1CCCCCC1)C(=O)CCNS(=O)(=O)C

DOS

IR

Vibrations