Geometry & MOs

Info

ID:	306197
PubChem CID:	125002558
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	32.55
Dipole, Da:	5.72
IP(EA), eV:	-9.36(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(3-methylpyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2CCC[C@H]2C3=NC(=CN=C3)C4=C(ON=C4C)C

DOS

IR

Vibrations