Geometry & MOs

Info

ID:	203606
PubChem CID:	79850389
Reduced:	OSN2C5H8 (2)
Stoich.:	ABC2D5E8 (2)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	5.56
IP(EA), eV:	-8.33(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N,2-dimethyl-N-(2-methylsulfonylethyl)aniline

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)C1=C(N2C=CSC2=N1)CN

DOS

IR

Vibrations