Geometry & MOs

Info

ID:	282416
PubChem CID:	103926169
Reduced:	NSF2O2C15H21 (1)
Stoich.:	ABC2D2E15F21 (1)
Weight, g/mol:	281.192569
ΔH_f, kcal/mol:	-172.75
Dipole, Da:	5.31
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC(F)F)CNC2CCC(C2)SC

DOS

IR

Vibrations