Geometry & MOs

Info

ID:	172881
PubChem CID:	75565323
Reduced:	ClO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	473.09641
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	7.24
IP(EA), eV:	-7.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C=NNC(=O)COC3=CC=C(C=C3)Cl)C(=CC(N2C)(C)C)C

DOS

IR

Vibrations