Geometry & MOs

Info

ID:	255247
PubChem CID:	103130886
Reduced:	FN3C17H24 (1)
Stoich.:	AB3C17D24 (1)
Weight, g/mol:	199.114319
ΔH_f, kcal/mol:	-3.89
Dipole, Da:	3.61
IP(EA), eV:	-8.87(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanamine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C(C)(C)C2=CC=C(C=C2)F

DOS

IR

Vibrations