Geometry & MOs

Info

ID:	446454
PubChem CID:	135275103
Reduced:	F3O3N6H29C30 (1)
Stoich.:	A3B3C6D29E30 (1)
Weight, g/mol:	193.127821
ΔH_f, kcal/mol:	-181.17
Dipole, Da:	1.79
IP(EA), eV:	-8.57(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4,4-difluoropiperidin-3-ol

Drug info:

PubChemData

Smile

C1CN(CCC1CO)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)C(F)(F)F)C5=C(CNC5=O)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations