Geometry & MOs

Info

ID:	415054
PubChem CID:	135088040
Reduced:	SO4N5C17H25 (1)
Stoich.:	AB4C5D17E25 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-116.75
Dipole, Da:	1.08
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations