Geometry & MOs

Info

ID:	369536
PubChem CID:	127334558
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	28.8
Dipole, Da:	3.59
IP(EA), eV:	-8.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-(2-propan-2-ylindazol-5-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)NC2=CC3=CN(N=C3C=C2)C(C)C

DOS

IR

Vibrations