Geometry & MOs

Info

ID:	305726
PubChem CID:	124966772
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	27.19
Dipole, Da:	6.53
IP(EA), eV:	-8.97(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)C(=O)N3CCC[C@H](C3)C4=NC=C(S4)C

DOS

IR

Vibrations