Geometry & MOs

Info

ID:	250769
PubChem CID:	103098951
Reduced:	Br2N5H7C8 (1)
Stoich.:	A2B5C7D8 (1)
Weight, g/mol:	310.01777
ΔH_f, kcal/mol:	78.59
Dipole, Da:	2.79
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N-ethylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2C(=NC(=N2)N)Br)Br

DOS

IR

Vibrations