Geometry & MOs

Info

ID:	249144
PubChem CID:	103087207
Reduced:	NSC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	223.139471
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	2.16
IP(EA), eV:	-8.14(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NCCCCSC)C

DOS

IR

Vibrations