Geometry & MOs

Info

ID:	346442
PubChem CID:	127270946
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	4.71
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-1-adamantyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC2CCN(CC2)C(=O)C3=CC(=CC4=C3NN=C4)C

DOS

IR

Vibrations