Geometry & MOs

Info

ID:	261049
PubChem CID:	103215607
Reduced:	OF3N4C8H13 (1)
Stoich.:	AB3C4D8E13 (1)
Weight, g/mol:	404.02647
ΔH_f, kcal/mol:	-160.46
Dipole, Da:	4.23
IP(EA), eV:	-9.84(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-iodophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CN1C(=NC=N1)CC(COCC(F)(F)F)N

DOS

IR

Vibrations