Geometry & MOs

Info

ID:	370454
PubChem CID:	127338948
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	89.24
Dipole, Da:	1.57
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyrimidin-2-ylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1C2CC(C1C=C2)C(=O)NC3=CN(N=C3)C4=NC=CC=N4

DOS

IR

Vibrations