Geometry & MOs

Info

ID:	151209
PubChem CID:	53790909
Reduced:	NC15H20 (2)
Stoich.:	AB15C20 (2)
Weight, g/mol:	282.104306
ΔH_f, kcal/mol:	62.96
Dipole, Da:	1.45
IP(EA), eV:	-8.19(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-3-ol

Drug info:

PubChemData

Smile

CCCC(CC)[C@@H]1CCC(=C(C2=CC=CC=C2)NNCC3=CC=C(C=C3)CCC=C)C=C1

DOS

IR

Vibrations