Geometry & MOs

Info

ID:	306870
PubChem CID:	125264134
Reduced:	FN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	1.84
IP(EA), eV:	-8.69(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,7aR)-1-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H]([C@H](CN2CC3=CC(=CC=C3)F)N4CCOCC4)OC1

DOS

IR

Vibrations