Geometry & MOs

Info

ID:	431812
PubChem CID:	135171918
Reduced:	N3O4C23H37 (1)
Stoich.:	A3B4C23D37 (1)
Weight, g/mol:	471.265255
ΔH_f, kcal/mol:	-186.76
Dipole, Da:	4.73
IP(EA), eV:	-8.25(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[3-[(6-chloropyridin-3-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)COC)N

DOS

IR

Vibrations