Geometry & MOs

Info

ID:	357925
PubChem CID:	127295425
Reduced:	FO2N3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	395.177583
ΔH_f, kcal/mol:	-139.24
Dipole, Da:	5.75
IP(EA), eV:	-9.33(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-fluorophenyl)-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)F)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations