Geometry & MOs

Info

ID:	286280
PubChem CID:	104169984
Reduced:	ON4C8H16 (1)
Stoich.:	AB4C8D16 (1)
Weight, g/mol:	198.148061
ΔH_f, kcal/mol:	-2.92
Dipole, Da:	6.29
IP(EA), eV:	-9.01(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxypropyl)-1,2,4-triazol-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(CN1C=NC(=N1)CNC)OC

DOS

IR

Vibrations