Geometry & MOs

Info

ID:	306882
PubChem CID:	125264163
Reduced:	FON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	2.4
IP(EA), eV:	-9.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-4-(1-methylpyrazol-4-yl)-1-(6-methylpyridine-3-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CN1[C@H]2CCN(C[C@@H]2C[C@H]1CN3C=NC=N3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations