Geometry & MOs

Info

ID:	359460
PubChem CID:	127298734
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-14.29
Dipole, Da:	10.24
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations