Geometry & MOs

Info

ID:	306913
PubChem CID:	125264315
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-55.03
Dipole, Da:	7.9
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,6aR)-N-[(5-methylpyrazin-2-yl)methyl]-4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CC[C@H]3[C@H]2CCC(=O)N3CC4CCOCC4

DOS

IR

Vibrations