Geometry & MOs

Info

ID:	31331
PubChem CID:	855584
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	-27.14
Dipole, Da:	2.46
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-tert-butyl-7-methylthieno[2,3-b]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations