Geometry & MOs

Info

ID:	250678
PubChem CID:	103098269
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	357.87353
ΔH_f, kcal/mol:	-35.34
Dipole, Da:	6.71
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)propanoate

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CN3)O

DOS

IR

Vibrations