Geometry & MOs

Info

ID:	175413
PubChem CID:	75901020
Reduced:	ClN3O4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	484.257337
ΔH_f, kcal/mol:	-140.72
Dipole, Da:	5.33
IP(EA), eV:	-8.72(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(3-methylbutoxy)-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C(=C3)Cl)OCC(=O)N)OC)C

DOS

IR

Vibrations