Geometry & MOs

Info

ID:	346402
PubChem CID:	127270906
Reduced:	F2O2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	4.04
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)OC4=C(C=C(C=C4)F)F)NN=C2

DOS

IR

Vibrations