Geometry & MOs

Info

ID:	269446
PubChem CID:	103617505
Reduced:	FION2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	415.99009
ΔH_f, kcal/mol:	-61.09
Dipole, Da:	4.75
IP(EA), eV:	-8.82(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-iodo-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCNC(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations