Geometry & MOs

Info

ID:	427383
PubChem CID:	135157963
Reduced:	O2N6C9H12 (1)
Stoich.:	A2B6C9D12 (1)
Weight, g/mol:	253.095892
ΔH_f, kcal/mol:	44.94
Dipole, Da:	3.52
IP(EA), eV:	-10.19(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-5-[2-(trimethyl-lambda4-sulfanyl)ethynyl]aniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/N=C(\N=[N+]=[N-])/N1C=CC=N1

DOS

IR

Vibrations