Geometry & MOs

Info

ID:	242705
PubChem CID:	98461916
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-144.44
Dipole, Da:	3.48
IP(EA), eV:	-8.74(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-1,2,4-triazol-3-yl)-2-[(5R,7R)-3-hydroxy-1-adamantyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@H]2C3=CC=CC=C3C(=O)N2CC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations