Geometry & MOs

Info

ID:	343560
PubChem CID:	127266733
Reduced:	FO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-81.6
Dipole, Da:	4.51
IP(EA), eV:	-9.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-1-(5-ethyl-6-phenylpyridazin-3-yl)-4-methoxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CO[C@H]1C[C@H](N(C1)C2=NOC(=N2)CC3=CC=C(C=C3)F)C(=O)N

DOS

IR

Vibrations