Geometry & MOs

Info

ID:	370587
PubChem CID:	127339725
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	2.21
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)C2=CN(N=C2)C)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations