Geometry & MOs

Info

ID:	207365
PubChem CID:	80387955
Reduced:	BrFON4H10C11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	278.120132
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	9.5
IP(EA), eV:	-9.07(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)NC2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations