Geometry & MOs

Info

ID:	242788
PubChem CID:	99206335
Reduced:	FO2N3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	425.247855
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	2.71
IP(EA), eV:	-8.63(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C[C@@H](C1=CC=C(C=C1)F)NC(=O)C2=CC=C(C=C2)N3CCC[C@@H](C3)C(=O)N

DOS

IR

Vibrations