Geometry & MOs

Info

ID:	427406
PubChem CID:	135158423
Reduced:	N3O5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	262.18567
ΔH_f, kcal/mol:	-178.63
Dipole, Da:	7.59
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-difluoro-N-(3-methylhexan-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)C(=N1)C(N)O

DOS

IR

Vibrations