Geometry & MOs

Info

ID:	342865
PubChem CID:	127266028
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	12.01
Dipole, Da:	1.78
IP(EA), eV:	-9.18(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1CN(CCN1C(=O)C=C)CCN2C=CC=N2

DOS

IR

Vibrations