Geometry & MOs

Info

ID:	416254
PubChem CID:	135089266
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-104.88
Dipole, Da:	2.95
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(3S,4S)-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=C(C4=CC=CC=C4C=C3)O)CO

DOS

IR

Vibrations