Geometry & MOs

Info

ID:	46649
PubChem CID:	10525936
Reduced:	ClN5O5H14C18 (1)
Stoich.:	AB5C5D14E18 (1)
Weight, g/mol:	416.134536
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	11.35
IP(EA), eV:	-9.59(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5E)-2-oxo-5-(tetrazolo[1,5-b]pyridazin-6-ylhydrazinylidene)-7,8-dihydro-6H-chromen-3-yl]benzamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)C3=C(N2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)OC)C(=O)N(C1=O)C

DOS

IR

Vibrations