Geometry & MOs

Info

ID:	369542
PubChem CID:	127334564
Reduced:	ON6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	51.48
Dipole, Da:	4.58
IP(EA), eV:	-7.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(2-propan-2-ylindazol-5-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)C)C(=O)NC3=CC4=CN(N=C4C=C3)C(C)C)C

DOS

IR

Vibrations