Geometry & MOs

Info

ID:	245758
PubChem CID:	103023838
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	4.04
IP(EA), eV:	-9.1(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2CCCCCN2

DOS

IR

Vibrations