Geometry & MOs

Info

ID:	369742
PubChem CID:	127335191
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	383.212139
ΔH_f, kcal/mol:	15.34
Dipole, Da:	4.8
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CSC4=CC=CC=C34

DOS

IR

Vibrations