Geometry & MOs

Info

ID:	329919
PubChem CID:	127246786
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-2.52
Dipole, Da:	5.16
IP(EA), eV:	-8.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCCC2C3=CC(=NC=C3)N(C)C

DOS

IR

Vibrations