Geometry & MOs

Info

ID:	63036
PubChem CID:	26738162
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	398.126657
ΔH_f, kcal/mol:	21.61
Dipole, Da:	1.78
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(Z)-(1,3-dioxoisoquinolin-4-ylidene)methyl]phenyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)NNC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations