Geometry & MOs

Info

ID:	201281
PubChem CID:	79518254
Reduced:	ON2S2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	239.134385
ΔH_f, kcal/mol:	6.04
Dipole, Da:	1.38
IP(EA), eV:	-8.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylbutylsulfanyl)-4-methoxyaniline

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCSC2=C(C=CC(=C2)OC)N

DOS

IR

Vibrations