Geometry & MOs

Info

ID:	269434
PubChem CID:	103617479
Reduced:	ION4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	400.01964
ΔH_f, kcal/mol:	31.62
Dipole, Da:	4.4
IP(EA), eV:	-9.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)C2=NN=C3N2CCC3)I

DOS

IR

Vibrations