Geometry & MOs

Info

ID:	346343
PubChem CID:	127270847
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	34.73
Dipole, Da:	5.36
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-methyl-1H-indazole-7-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC4=C3NN=C4)C

DOS

IR

Vibrations