Geometry & MOs

Info

ID:	207321
PubChem CID:	80376940
Reduced:	OBr2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	45.83
Dipole, Da:	4.6
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC(=O)C2=NNC(=N2)C3CC3)Br

DOS

IR

Vibrations