Geometry & MOs

Info

ID:

90481

PubChem CID:

49969967

Reduced:

BrFO3N4C29H36 (1)

Stoich.:

ABC3D4E29F36 (1)

Weight, g/mol:

558.281776

ΔHf, kcal/mol:

-159.35

Dipole, Da:

3.73

IP(EA), eV:

 -8.91(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations