Geometry & MOs

Info

ID:	223415
PubChem CID:	85335005
Reduced:	ClON7C14H16 (1)
Stoich.:	ABC7D14E16 (1)
Weight, g/mol:	336.136159
ΔH_f, kcal/mol:	24.8
Dipole, Da:	7.05
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methoxy-3-[(4-methoxyphenyl)methylidene]-2-methylinden-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC2=NC(=C3C(=N2)N=CN3)N)N.Cl

DOS

IR

Vibrations