Geometry & MOs

Info

ID:	88823
PubChem CID:	49957012
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	1.99
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-3-[2-(4-phenylphenoxy)butanoylamino]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C)OC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations