Geometry & MOs

Info

ID:	126698
PubChem CID:	50973320
Reduced:	FON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	31.01
Dipole, Da:	6.15
IP(EA), eV:	-8.31(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=CN(N=C1)C)N2C=NC(=C2C3=C(C=CC=C3F)OC)C4=CC=CC=C4

DOS

IR

Vibrations