Geometry & MOs

Info

ID:	307329
PubChem CID:	125299596
Reduced:	O4N5H17C20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	424.141452
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	4.42
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2H-indol-3-yl)ethyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NNC(=O)C=C2)NC(=O)CN3C(=O)C=C[C@H](N3)C4=CC=CO4

DOS

IR

Vibrations