Geometry & MOs

Info

ID:	359562
PubChem CID:	127298836
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-65.74
Dipole, Da:	6.03
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentylpiperazin-1-yl)-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4CCN(CC4)CC(C)C

DOS

IR

Vibrations