Geometry & MOs

Info

ID:	431631
PubChem CID:	135171727
Reduced:	F3O3N5C26H40 (1)
Stoich.:	A3B3C5D26E40 (1)
Weight, g/mol:	405.262757
ΔH_f, kcal/mol:	-243.82
Dipole, Da:	3.86
IP(EA), eV:	-8.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-amino-4-[(2R)-4-methoxy-4-oxobutan-2-yl]-N-(2-methylpropyl)anilino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC/N=C(/C(F)(F)F)\NN=C

DOS

IR

Vibrations