Geometry & MOs

Info

ID:	207512
PubChem CID:	80407163
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-55.08
Dipole, Da:	3.1
IP(EA), eV:	-8.27(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methoxy-3-methylbutan-2-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline

Drug info:

PubChemData

Smile

COCC(C1CC1)NC2=CC=CC(=C2)CO

DOS

IR

Vibrations