Geometry & MOs

Info

ID:	305438
PubChem CID:	124807255
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-77.9
Dipole, Da:	3.76
IP(EA), eV:	-8.98(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-1-cyclopropylsulfonyl-4-(pyridin-3-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1C[C@]2(CCC(=O)N2CC3=CC=CC=C3)CCN(C1)[C@H]4CCOC4

DOS

IR

Vibrations