Geometry & MOs

Info

ID:	326246
PubChem CID:	126687226
Reduced:	F2N5C19H33 (1)
Stoich.:	A2B5C19D33 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	4.49
IP(EA), eV:	-8.47(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-2-[2-(2H-benzotriazol-5-yl)propyl]-5-benzyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CCCC(CC)N/C(=C(/C=N\C(/C=C/NC(C)/N=C\C(=C/C)\F)N)\F)/C

DOS

IR

Vibrations