Geometry & MOs

Info

ID:	333637
PubChem CID:	127252189
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	368.140389
ΔH_f, kcal/mol:	-8.59
Dipole, Da:	5.09
IP(EA), eV:	-8.87(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations