Geometry & MOs

Info

ID:	178579
PubChem CID:	76352772
Reduced:	SN3O3C21H35 (1)
Stoich.:	AB3C3D21E35 (1)
Weight, g/mol:	450.251858
ΔH_f, kcal/mol:	-114.52
Dipole, Da:	7.87
IP(EA), eV:	-8.53(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(CCCCCC1CC(NN1)C2=CC=CC=C2)S(=O)(=O)CC3CCCCO3

DOS

IR

Vibrations