Geometry & MOs

Info

ID:	286547
PubChem CID:	104170995
Reduced:	ION2C8H13 (1)
Stoich.:	ABC2D8E13 (1)
Weight, g/mol:	297.064649
ΔH_f, kcal/mol:	2.48
Dipole, Da:	2.57
IP(EA), eV:	-9.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxypropylsulfonyl)-5-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC1=CN(N=C1I)CC(C)OC

DOS

IR

Vibrations