Geometry & MOs

Info

ID:	263791
PubChem CID:	103398544
Reduced:	FN4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	387.97212
ΔH_f, kcal/mol:	11.53
Dipole, Da:	3.34
IP(EA), eV:	-9.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dibromo-N-[(1-tert-butyltriazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(N=N1)CNCC2=CC=C(C=C2)F

DOS

IR

Vibrations