Geometry & MOs

Info

ID:	358178
PubChem CID:	127295723
Reduced:	ClN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	391.22712
ΔH_f, kcal/mol:	-113.77
Dipole, Da:	5.28
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[2-(3-fluorophenoxy)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCO4

DOS

IR

Vibrations