Geometry & MOs

Info

ID:	347621
PubChem CID:	127272487
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-139.84
Dipole, Da:	7.91
IP(EA), eV:	-8.88(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrolidin-1-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3CSCN3C(=O)C4CCCC4

DOS

IR

Vibrations