Geometry & MOs

Info

ID:	298632
PubChem CID:	117652760
Reduced:	BrN3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-88.5
Dipole, Da:	3.68
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-yl]-2-(6-oxopyridazin-1-yl)acetamide

Drug info:

PubChemData

Smile

COCN1C2=C(C=CC(=C2)Br)N=C1CCNC(=O)O

DOS

IR

Vibrations