Geometry & MOs

Info

ID:	416843
PubChem CID:	135090580
Reduced:	ClNO2C23H32 (1)
Stoich.:	ABC2D23E32 (1)
Weight, g/mol:	373.191403
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	3.2
IP(EA), eV:	-9.08(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3(CCCCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations