Geometry & MOs

Info

ID:	324002
PubChem CID:	126676746
Reduced:	N5H17C22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	562.267902
ΔH_f, kcal/mol:	123.01
Dipole, Da:	2.59
IP(EA), eV:	-8.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[[(3,4-dimethoxybenzoyl)amino]methyl]phenoxy]ethylamino]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N

DOS

IR

Vibrations