Geometry & MOs

Info

ID:	250810
PubChem CID:	103099243
Reduced:	BrO2N7C8H8 (1)
Stoich.:	AB2C7D8E8 (1)
Weight, g/mol:	369.95961
ΔH_f, kcal/mol:	107.83
Dipole, Da:	5.83
IP(EA), eV:	-9.05(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(C=C1CN2C(=NC(=N2)[N+](=O)[O-])Br)NN

DOS

IR

Vibrations