Geometry & MOs

Info

ID:	343806
PubChem CID:	127266982
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	-69.92
Dipole, Da:	3.99
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCC2=CC(=NO2)C(=O)OC

DOS

IR

Vibrations