Geometry & MOs

Info

ID:	286281
PubChem CID:	104169985
Reduced:	ON4C9H18 (1)
Stoich.:	AB4C9D18 (1)
Weight, g/mol:	212.163711
ΔH_f, kcal/mol:	-5.34
Dipole, Da:	4.45
IP(EA), eV:	-8.86(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=NN(C=N1)CC(C)OC

DOS

IR

Vibrations