Geometry & MOs

Info

ID:	280773
PubChem CID:	103851211
Reduced:	SF2N2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	250.125218
ΔH_f, kcal/mol:	-53.07
Dipole, Da:	3.77
IP(EA), eV:	-9.17(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations