Geometry & MOs

Info

ID:	215022
PubChem CID:	85084009
Reduced:	SO5C41H64 (1)
Stoich.:	AB5C41D64 (1)
Weight, g/mol:	669.461791
ΔH_f, kcal/mol:	-257.99
Dipole, Da:	5.15
IP(EA), eV:	-8.8(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[9-[2-hydroxyethyl-[1-[(4-methoxypyridin-3-yl)methyl]piperidin-4-yl]amino]nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C1CCC(O1)C(CCC#CC=CCCCCCCC2(CC(OC2=O)C)SC3=CC=CC=C3)O)O

DOS

IR

Vibrations