Geometry & MOs

Info

ID:	307045
PubChem CID:	125264770
Reduced:	FN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	312.138639
ΔH_f, kcal/mol:	-165.74
Dipole, Da:	3.05
IP(EA), eV:	-9.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC[C@@H]1CC[C@H]2[C@H](O1)CCN2C(=O)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations