Geometry & MOs

Info

ID:	367689
PubChem CID:	127325409
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	14.73
Dipole, Da:	2.68
IP(EA), eV:	-8.78(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-piperidin-1-ylpyrrolidin-1-yl)-[3-(1,2,4-triazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations