Geometry & MOs

Info

ID:	286285
PubChem CID:	104169989
Reduced:	ON4C11H22 (1)
Stoich.:	AB4C11D22 (1)
Weight, g/mol:	226.179361
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	5.21
IP(EA), eV:	-8.67(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations