Geometry & MOs

Info

ID:	253662
PubChem CID:	103119842
Reduced:	SO2N5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	27.48
Dipole, Da:	5.79
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1H-pyrazol-5-ylidene)-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazole

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NN(C(=N3)SCC(=O)O)C

DOS

IR

Vibrations