Geometry & MOs

Info

ID:	152056
PubChem CID:	56310907
Reduced:	FON3C22H34 (1)
Stoich.:	ABC3D22E34 (1)
Weight, g/mol:	399.243439
ΔH_f, kcal/mol:	-89.05
Dipole, Da:	2.92
IP(EA), eV:	-8.79(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations