Geometry & MOs

Info

ID:	164395
PubChem CID:	74393669
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	450.158931
ΔH_f, kcal/mol:	43.07
Dipole, Da:	16.14
IP(EA), eV:	-7.87(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[amino-(propan-2-ylamino)methylidene]-1-benzofuran-2-ylidene]-3-oxo-N'-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(N)N)C=C2C1=CC(=C3C=CC(=CC3=O)C(=N)N)O2

DOS

IR

Vibrations