Geometry & MOs

Info

ID:	438265
PubChem CID:	135227993
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	418.155352
ΔH_f, kcal/mol:	-28.72
Dipole, Da:	3.34
IP(EA), eV:	-9.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethyltriazol-4-yl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-2-nitroaniline

Drug info:

PubChemData

Smile

C1COCCC1CC2=CC=CC=N2

DOS

IR

Vibrations