Geometry & MOs

Info

ID:	129487
PubChem CID:	51072787
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	223.099714
ΔH_f, kcal/mol:	-155.06
Dipole, Da:	4.86
IP(EA), eV:	-8.96(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-methylphenyl)-3-pyridin-3-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

COCCNC(=O)CN1CCC(CC1)C(=O)N2CCCCC2

DOS

IR

Vibrations