Geometry & MOs

Info

ID:	203601
PubChem CID:	79850210
Reduced:	BrSN2O2C12H19 (1)
Stoich.:	ABC2D2E12F19 (1)
Weight, g/mol:	298.171499
ΔH_f, kcal/mol:	-60.34
Dipole, Da:	7.13
IP(EA), eV:	-8.89(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(tert-butylamino)methyl]-N-methyl-N-(2-methylsulfonylethyl)aniline

Drug info:

PubChemData

Smile

CNCC1=C(C=C(C=C1)Br)N(C)CCS(=O)(=O)C

DOS

IR

Vibrations