Geometry & MOs

Info

ID:	242292
PubChem CID:	96099824
Reduced:	FN4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-1.18
Dipole, Da:	5.95
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1[C@@H]3CCNC3)C=CC(=C2)F

DOS

IR

Vibrations