Geometry & MOs

Info

ID:	342738
PubChem CID:	127265901
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	5.41
IP(EA), eV:	-9.31(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[3-[(4-pyridazin-3-ylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(CC#N)N(C)S(=O)(=O)N(C)CC(=CC1=CC=CC=C1)C

DOS

IR

Vibrations