Geometry & MOs

Info

ID:	377873
PubChem CID:	134223938
Reduced:	FON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	4.85
IP(EA), eV:	-8.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethynyl-3-propan-2-yl-5-[(Z)-prop-1-enyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCCC(C)N1CC2=C(C(=CC=C2)F)NC1=O

DOS

IR

Vibrations