Geometry & MOs

Info

ID:	329933
PubChem CID:	127246800
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	9.66
Dipole, Da:	6.51
IP(EA), eV:	-8.65(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)pyridin-4-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)CC3=CSC=C3

DOS

IR

Vibrations