Geometry & MOs

Info

ID:	186373
PubChem CID:	77425592
Reduced:	ClO2F3N3C32H35 (1)
Stoich.:	AB2C3D3E32F35 (1)
Weight, g/mol:	470.293328
ΔH_f, kcal/mol:	-215.35
Dipole, Da:	6.54
IP(EA), eV:	-8.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-tert-butylphenyl)-2-cyclohexa-2,4-dien-1-yl-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2C3CC=C(C=C3)NC4CCCC4)C(=O)C5=CC=CC=C5Cl)C(F)(F)F

DOS

IR

Vibrations