Geometry & MOs

Info

ID:	253787
PubChem CID:	103120641
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	28.81
Dipole, Da:	4.39
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CNCC1CCCN(C1)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations