Geometry & MOs

Info

ID:	250809
PubChem CID:	103099225
Reduced:	BrSO2N6C8H9 (1)
Stoich.:	ABC2D6E8F9 (1)
Weight, g/mol:	312.99229
ΔH_f, kcal/mol:	81.15
Dipole, Da:	8.91
IP(EA), eV:	-9.19(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]hydrazine

Drug info:

PubChemData

Smile

CCNC1=NC=C(S1)CN2C(=NC(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations