Geometry & MOs

Info

ID:	355437
PubChem CID:	127288500
Reduced:	O2N7C16H23 (1)
Stoich.:	A2B7C16D23 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	1.04
Dipole, Da:	1.88
IP(EA), eV:	-9.65(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)N1CCCC(C1)N2C=NC=N2)N3C=CC=N3

DOS

IR

Vibrations