Geometry & MOs

Info

ID:	358127
PubChem CID:	127295672
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	391.22712
ΔH_f, kcal/mol:	-156.01
Dipole, Da:	1.84
IP(EA), eV:	-8.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[2-(2-fluorophenoxy)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCCC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations