Geometry & MOs

Info

ID:	306196
PubChem CID:	125002548
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	2.85
IP(EA), eV:	-9.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-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

CN1C(=O)C2=C(N=C(C=C2)[C@@H]3CCN(C3)C(=O)C4=CC=CC=N4)N(C1=O)CC5=CC=CC=C5

DOS

IR

Vibrations