Geometry & MOs

Info

ID:	29513
PubChem CID:	834619
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	232.10342
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	2.27
IP(EA), eV:	-8.95(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4-trimethylquinoline-1-carbothioamide

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CC=CC=C1OCC(=O)NCCC2=CC=CC=C2

DOS

IR

Vibrations