Geometry & MOs

Info

ID:	363988
PubChem CID:	127313657
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-57.47
Dipole, Da:	3.18
IP(EA), eV:	-9.32(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylpiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=NOC3=C2CCCC3)C

DOS

IR

Vibrations