Geometry & MOs

Info

ID:	286279
PubChem CID:	104169983
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	184.132411
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	3.28
IP(EA), eV:	-8.17(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C=CC2=C1C(=CC=C2)CNCCOC)OC

DOS

IR

Vibrations