Geometry & MOs

Info

ID:	125867
PubChem CID:	50941581
Reduced:	BrClH3C5N5 (1)
Stoich.:	ABC3D5E5 (1)
Weight, g/mol:	309.136493
ΔH_f, kcal/mol:	63.95
Dipole, Da:	3.04
IP(EA), eV:	-9.19(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methoxyanilino)propyl]chromen-2-one

Drug info:

PubChemData

Smile

C12=C(N=C(N=C1Cl)N)N=C(N2)Br

DOS

IR

Vibrations