Geometry & MOs

Info

ID:	357683
PubChem CID:	127294357
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	12.44
Dipole, Da:	6.87
IP(EA), eV:	-8.51(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)CC(=O)NC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations