Geometry & MOs

Info

ID:	370453
PubChem CID:	127338947
Reduced:	OSN5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	50.01
Dipole, Da:	1.53
IP(EA), eV:	-8.56(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyrimidin-2-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

C1CSCCC1C(=O)NC2=CN(N=C2)C3=NC=CC=N3

DOS

IR

Vibrations