Geometry & MOs

Info

ID:	329963
PubChem CID:	127246950
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	1.75
Dipole, Da:	5.46
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N3CCCC3C4=CN=CC(=N4)NC

DOS

IR

Vibrations