Geometry & MOs

Info

ID:	225538
PubChem CID:	85852806
Reduced:	BrNO2C14H26 (1)
Stoich.:	ABC2D14E26 (1)
Weight, g/mol:	480.187642
ΔH_f, kcal/mol:	-127.49
Dipole, Da:	2.22
IP(EA), eV:	-9.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3,5-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]phenyl]-2,3-difluoro-4-propylbenzene

Drug info:

PubChemData

Smile

CC(CCCCN(CC=C)C(=O)OC(C)(C)C)Br

DOS

IR

Vibrations