Geometry & MOs

Info

ID:	359589
PubChem CID:	127298863
Reduced:	ClON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	28.56
Dipole, Da:	5.25
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN4CCCC4C3

DOS

IR

Vibrations