Geometry & MOs

Info

ID:	263796
PubChem CID:	103399110
Reduced:	ON4C15H28 (1)
Stoich.:	AB4C15D28 (1)
Weight, g/mol:	293.128803
ΔH_f, kcal/mol:	-27.65
Dipole, Da:	4.59
IP(EA), eV:	-9.23(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-tert-butyltriazol-4-yl)methyl]-3-fluoro-4-nitroaniline

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(N=N1)CNCCOC2CCCCC2

DOS

IR

Vibrations