Geometry & MOs

Info

ID:	177665
PubChem CID:	76210691
Reduced:	N2O5C11H18 (1)
Stoich.:	A2B5C11D18 (1)
Weight, g/mol:	322.01911
ΔH_f, kcal/mol:	-224.22
Dipole, Da:	6.42
IP(EA), eV:	-9.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-amino-2-bromophenyl)methyl]-4,5-dimethylpyridazin-1-ium-3,6-dione

Drug info:

PubChemData

Smile

CCOCCNC(=O)NC(=O)C(=C(C)C(=O)O)C

DOS

IR

Vibrations