Geometry & MOs

Info

ID:	269432
PubChem CID:	103617477
Reduced:	FION2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	415.99009
ΔH_f, kcal/mol:	-33.93
Dipole, Da:	3.64
IP(EA), eV:	-8.94(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)CNC(=O)C3=C(C=C(C=C3)F)I

DOS

IR

Vibrations