Geometry & MOs

Info

ID:	370274
PubChem CID:	127337941
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	383.243359
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	2.39
IP(EA), eV:	-8.63(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C)(C)NC(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations