Geometry & MOs

Info

ID:	352783
PubChem CID:	127283872
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-21.15
Dipole, Da:	2.43
IP(EA), eV:	-9.38(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations