Geometry & MOs

Info

ID:	286539
PubChem CID:	104170957
Reduced:	FNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	198.148061
ΔH_f, kcal/mol:	-61.94
Dipole, Da:	3.58
IP(EA), eV:	-8.98(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxypropyl)-5-propyltriazol-4-amine

Drug info:

PubChemData

Smile

CC(CC1(CNC1)C2=CC=CC=C2F)OC

DOS

IR

Vibrations