Geometry & MOs

Info

ID:	414267
PubChem CID:	135087223
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	339.133139
ΔH_f, kcal/mol:	6.69
Dipole, Da:	6.67
IP(EA), eV:	-8.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NN=C(C=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations