Geometry & MOs

Info

ID:	150865
PubChem CID:	53790562
Reduced:	BrN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	418.304722
ΔH_f, kcal/mol:	-181.22
Dipole, Da:	8.13
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-1-[4-[4-(4-hexylcyclohexyl)cyclohexyl]phenyl]propan-1-one

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C(=O)N1)Br)C(=O)CC(=O)OC(C)(C)C

DOS

IR

Vibrations