Geometry & MOs

Info

ID:	434834
PubChem CID:	135175807
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	446.203292
ΔH_f, kcal/mol:	-24.92
Dipole, Da:	9.27
IP(EA), eV:	-8.11(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-difluorophenyl)propyl]-2,4-difluoro-3-[1-(4-fluoro-3-propan-2-ylphenyl)propan-2-yl]benzene

Drug info:

PubChemData

Smile

CC1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O

DOS

IR

Vibrations