Geometry & MOs

Info

ID:	364198
PubChem CID:	127314501
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	10.79
IP(EA), eV:	-9.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-oxo-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CC=C2O)C(=O)NC3CCC4=NC=NN4C3

DOS

IR

Vibrations