Geometry & MOs

Info

ID:	166022
PubChem CID:	74627203
Reduced:	OS2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	326.132708
ΔH_f, kcal/mol:	50.72
Dipole, Da:	8.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.094563
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-(quinoline-5-carbonylamino)-1-thiophen-3-ylethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NCC(C3=CSC=C3)[NH+](C)C

DOS

IR

Vibrations