Geometry & MOs

Info

ID:	132655
PubChem CID:	51393725
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	325.155218
ΔH_f, kcal/mol:	-7.0
Dipole, Da:	5.46
IP(EA), eV:	-8.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methylidene-[2-(3-oxo-1H-isoindol-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)N/N=C\C(=C\C2=CC=CC=C2)\C)C

DOS

IR

Vibrations