Geometry & MOs

Info

ID:	223649
PubChem CID:	85335365
Reduced:	FN4O4C25H33 (1)
Stoich.:	AB4C4D25E33 (1)
Weight, g/mol:	473.26654
ΔH_f, kcal/mol:	-199.33
Dipole, Da:	3.06
IP(EA), eV:	-8.41(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidine-1-carbonyl]-5-methyl-2-propylhexanamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C=CC4CCCCC4)F

DOS

IR

Vibrations