Geometry & MOs

Info

ID:	352779
PubChem CID:	127283868
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-47.47
Dipole, Da:	6.12
IP(EA), eV:	-8.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylcyclohexyl)carbamoyl]-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NC2=CC3=C(C=C2)OCCCO3)N4C=NC=N4

DOS

IR

Vibrations