Geometry & MOs

Info

ID:	55694
PubChem CID:	17395850
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-38.83
Dipole, Da:	2.42
IP(EA), eV:	-8.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)NCCOC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations