Geometry & MOs

Info

ID:	330063
PubChem CID:	127247050
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	19.32
Dipole, Da:	6.57
IP(EA), eV:	-8.58(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCCC2C3=CN=CC(=N3)N(C)C

DOS

IR

Vibrations