Geometry & MOs

Info

ID:	421735
PubChem CID:	135116516
Reduced:	SN2O6C14H26 (1)
Stoich.:	AB2C6D14E26 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	-292.45
Dipole, Da:	7.12
IP(EA), eV:	-9.55(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1H-inden-2-ylamino)-4-methylpyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)CCCS(=O)(=O)N)OC[C@@H]1O)O

DOS

IR

Vibrations