Geometry & MOs

Info

ID:	191370
PubChem CID:	78138463
Reduced:	NSO5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-185.79
Dipole, Da:	8.94
IP(EA), eV:	-9.79(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-phenylethenyl)pyrrolo[1,2-b]pyridazine-7-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)N1CC(CC1C(=O)OC)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations