Geometry & MOs

Info

ID:	333916
PubChem CID:	127252468
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-64.32
Dipole, Da:	3.9
IP(EA), eV:	-8.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,9aS)-1-(2-aminopyridine-3-carbonyl)-3a-methyl-2,3,5,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-4-yl]ethanone

Drug info:

PubChemData

Smile

C[C@]12CCN([C@H]1CCCCCN2C)C(=O)CN3C4=CC=CC=C4N(C3=O)C

DOS

IR

Vibrations