Geometry & MOs

Info

ID:	333650
PubChem CID:	127252202
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	352.169939
ΔH_f, kcal/mol:	-7.95
Dipole, Da:	4.31
IP(EA), eV:	-8.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[5-[(4-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3=CN=CC=C3)O)COC4=CC=CC=C4

DOS

IR

Vibrations