Geometry & MOs

Info

ID:	217889
PubChem CID:	85088538
Reduced:	BrN4O5C14H25 (1)
Stoich.:	AB4C5D14E25 (1)
Weight, g/mol:	408.0797
ΔH_f, kcal/mol:	-198.69
Dipole, Da:	1.99
IP(EA), eV:	-9.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C(CBr)O)C(CNC(=O)OC(C)(C)C)N=[N+]=[N-])C

DOS

IR

Vibrations