Geometry & MOs

Info

ID:	431904
PubChem CID:	135172025
Reduced:	ClN3O3C25H34 (1)
Stoich.:	AB3C3D25E34 (1)
Weight, g/mol:	419.278407
ΔH_f, kcal/mol:	-112.94
Dipole, Da:	3.49
IP(EA), eV:	-8.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-amino-4-[[1-(2-methoxyacetyl)piperidin-4-yl]-(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations