Geometry & MOs

Info

ID:	357927
PubChem CID:	127295427
Reduced:	O2N3C20H35 (1)
Stoich.:	A2B3C20D35 (1)
Weight, g/mol:	395.177583
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	5.33
IP(EA), eV:	-9.36(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations