Geometry & MOs

Info

ID:	369740
PubChem CID:	127335174
Reduced:	OSN4C22H28 (1)
Stoich.:	ABC4D22E28 (1)
Weight, g/mol:	367.180839
ΔH_f, kcal/mol:	2.6
Dipole, Da:	4.75
IP(EA), eV:	-8.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-4-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3(CCCC3)SC4=CC=CC=C4

DOS

IR

Vibrations