Geometry & MOs

Info

ID:	394066
PubChem CID:	135022282
Reduced:	ClON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	47.54
Dipole, Da:	2.06
IP(EA), eV:	-9.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6,7-dimethoxy-4-[(4-methoxyphenyl)methylidene]-1H-isochromene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations