Geometry & MOs

Info

ID:	198764
PubChem CID:	79147200
Reduced:	SN3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	27.33
Dipole, Da:	1.78
IP(EA), eV:	-8.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)NCC3CCCN(C3)C

DOS

IR

Vibrations