Geometry & MOs

Info

ID:	170512
PubChem CID:	75244769
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	484.316189
ΔH_f, kcal/mol:	-44.64
Dipole, Da:	1.79
IP(EA), eV:	-9.38(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]-N-(4-phenylpyrazolidin-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OCC=CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)O

DOS

IR

Vibrations