Geometry & MOs

Info

ID:	426842
PubChem CID:	135154123
Reduced:	ClN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	438.08306
ΔH_f, kcal/mol:	-78.67
Dipole, Da:	4.3
IP(EA), eV:	-8.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-2-(4-methylphenyl)butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1Cl)NCC2=C(C=C(C=C2)OC)OC)CC=O

DOS

IR

Vibrations