Geometry & MOs

Info

ID:	208855
PubChem CID:	80595111
Reduced:	NSC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	-19.43
Dipole, Da:	1.4
IP(EA), eV:	-8.53(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-N-(thian-2-ylmethyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

C1CCSC(C1)CNC2CC3CCC2C3

DOS

IR

Vibrations