Geometry & MOs

Info

ID:	322213
PubChem CID:	126669225
Reduced:	FO2N4C29H35 (1)
Stoich.:	AB2C4D29E35 (1)
Weight, g/mol:	498.299476
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	2.24
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-tert-butylphenyl)-2-[4-(dimethylamino)phenyl]-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)[C@H]2C(CCCN2C(=O)C3=C(C=CC=C3F)C)C(=O)NC4=CC=CC(=C4)C(C)(C)C

DOS

IR

Vibrations