Geometry & MOs

Info

ID:	280897
PubChem CID:	103851815
Reduced:	NSF4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	279.11384
ΔH_f, kcal/mol:	-146.95
Dipole, Da:	6.85
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol

Drug info:

PubChemData

Smile

C#CCSCCNCC1=CC(=C(C=C1)F)C(F)(F)F

DOS

IR

Vibrations