Geometry & MOs

Info

ID:	83986
PubChem CID:	49863077
Reduced:	NO2C11H11 (3)
Stoich.:	AB2C11D11 (3)
Weight, g/mol:	412.320212
ΔH_f, kcal/mol:	-142.91
Dipole, Da:	5.39
IP(EA), eV:	-8.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethyl]-1-(2-cyclohexylethyl)-3-(3-pyridin-4-ylpropyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)NNC(=O)CC[C@@H](C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations