Geometry & MOs

Info

ID:	327370
PubChem CID:	126689710
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-2.66
Dipole, Da:	3.17
IP(EA), eV:	-10.1(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2S)-2-methylcyclopropyl]-1-pyridin-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CC1CCC(=O)C2=CC=CC=N2

DOS

IR

Vibrations