Geometry & MOs

Info

ID:	261055
PubChem CID:	103215674
Reduced:	OF3N3C14H24 (1)
Stoich.:	AB3C3D14E24 (1)
Weight, g/mol:	404.02647
ΔH_f, kcal/mol:	-198.86
Dipole, Da:	4.71
IP(EA), eV:	-9.09(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)CC(COCC(F)(F)F)NCC)CC

DOS

IR

Vibrations