Geometry & MOs

Info

ID:	255836
PubChem CID:	103135073
Reduced:	FNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	231.104148
ΔH_f, kcal/mol:	-131.47
Dipole, Da:	4.86
IP(EA), eV:	-9.12(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-methylpyrazol-3-yl)-2-methylsulfonylpropan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C3=C(C=CC=C3F)C(=O)C2=O

DOS

IR

Vibrations