Geometry & MOs

Info

ID:	145787
PubChem CID:	53592977
Reduced:	ON3F4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-195.25
Dipole, Da:	6.88
IP(EA), eV:	-9.48(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylindol-3-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)F)C(F)(F)F)N3C=CN=C3

DOS

IR

Vibrations