Geometry & MOs

Info

ID:	11760
PubChem CID:	120571
Reduced:	N5H7O7C11 (1)
Stoich.:	A5B7C7D11 (1)
Weight, g/mol:	321.034548
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	1.58
IP(EA), eV:	-10.04(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carboxy-[6-[2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=C(OC(=C1)[N+](=O)[O-])C=CC2=CN=C(N=N2)N(C(=O)O)C(=O)O

DOS

IR

Vibrations