Geometry & MOs

Info

ID:	426706
PubChem CID:	135153484
Reduced:	ClO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	391.247107
ΔH_f, kcal/mol:	-106.4
Dipole, Da:	3.92
IP(EA), eV:	-8.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)O)NC3=CN=C(C=N3)Cl

DOS

IR

Vibrations