Geometry & MOs

Info

ID:	126638
PubChem CID:	50971062
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	2.5
IP(EA), eV:	-8.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(5-methylpyridin-2-yl)piperidin-4-yl]methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1COCCN1CCN(CC2=CC=CO2)C(=O)C3=CC(=CC=C3)N

DOS

IR

Vibrations