Geometry & MOs

Info

ID:	263227
PubChem CID:	103347460
Reduced:	FO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	-82.76
Dipole, Da:	5.13
IP(EA), eV:	-8.47(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxypyridin-2-yl)methyl]-2-(triazol-1-yl)aniline

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)F)NCC2=NC(=CC=C2)OC

DOS

IR

Vibrations