Geometry & MOs

Info

ID:	343389
PubChem CID:	127266562
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-15.36
Dipole, Da:	3.58
IP(EA), eV:	-9.27(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)NCC1=NC2=C(CCCC2)C=C1

DOS

IR

Vibrations