Geometry & MOs

Info

ID:	355445
PubChem CID:	127288508
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-66.21
Dipole, Da:	5.45
IP(EA), eV:	-9.73(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations