Geometry & MOs

Info

ID:	327369
PubChem CID:	126689707
Reduced:	OF4N5C31H37 (1)
Stoich.:	AB4C5D31E37 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-142.62
Dipole, Da:	4.5
IP(EA), eV:	-8.83(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylcyclopropyl)-1-pyridin-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(CCC2CC2)C3=CC(=C(C=C3)F)CC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F

DOS

IR

Vibrations