Geometry & MOs

Info

ID:	131663
PubChem CID:	51240048
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-96.03
Dipole, Da:	3.17
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-6-oxo-N-(1-phenylethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)C(=O)N(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations