Geometry & MOs

Info

ID:	191331
PubChem CID:	78132467
Reduced:	BrNO3C30H32 (1)
Stoich.:	ABC3D30E32 (1)
Weight, g/mol:	547.17221
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	3.63
IP(EA), eV:	-8.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-methylphenyl)-4-methyl-2-[4-[2-(3-methylpyrrolidin-1-yl)propoxy]phenyl]-2H-chromen-6-ol

Drug info:

PubChemData

Smile

CC1CCN(C1)C(C)COC2=CC=C(C=C2)C3C(=C(C4=C(O3)C=CC(=C4)O)C)C5=CC=CC=C5Br

DOS

IR

Vibrations