Geometry & MOs

Info

ID:	363454
PubChem CID:	127311257
Reduced:	OS2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	73.3
Dipole, Da:	6.02
IP(EA), eV:	-9.26(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[2-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexyl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CN=C(S2)C3=CSC=C3)N4C=NC=N4

DOS

IR

Vibrations