Geometry & MOs

Info

ID:	207133
PubChem CID:	80351865
Reduced:	SN2O4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	247.148476
ΔH_f, kcal/mol:	-156.59
Dipole, Da:	6.68
IP(EA), eV:	-9.03(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)OC)S(=O)(=O)C2=CC=CC=C2N

DOS

IR

Vibrations