Geometry & MOs

Info

ID:	364707
PubChem CID:	127316010
Reduced:	FO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	3.72
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyloxy-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations