Geometry & MOs

Info

ID:	245040
PubChem CID:	99432216
Reduced:	SN2O6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	389.0375
ΔH_f, kcal/mol:	-203.86
Dipole, Da:	7.79
IP(EA), eV:	-8.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCC1NC2=CC=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations