Geometry & MOs

Info

ID:	306114
PubChem CID:	125001668
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-10.03
Dipole, Da:	3.14
IP(EA), eV:	-9.03(-0.41)
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-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@]2(CCCN2C(=O)C3=C(SC(=N3)C)C)C)C

DOS

IR

Vibrations