Geometry & MOs

Info

ID:	343261
PubChem CID:	127266434
Reduced:	BrClNO6H19C23 (1)
Stoich.:	ABCD6E19F23 (1)
Weight, g/mol:	469.129215
ΔH_f, kcal/mol:	-82.57
Dipole, Da:	4.96
IP(EA), eV:	-9.08(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=CC2=NC3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC.OCl(=O)(=O)=O

DOS

IR

Vibrations