Geometry & MOs

Info

ID:	330356
PubChem CID:	127247343
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	7.57
IP(EA), eV:	-9.02(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations