Geometry & MOs

Info

ID:	207318
PubChem CID:	80375357
Reduced:	BrNF2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-48.72
Dipole, Da:	0.65
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-[2-(methylaminomethyl)phenyl]-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CNC(CC1=C(C=CC=C1F)F)C2=CC=C(C=C2)Br

DOS

IR

Vibrations