Geometry & MOs

Info

ID:	125217
PubChem CID:	50915438
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	385.11365
ΔH_f, kcal/mol:	-13.7
Dipole, Da:	4.47
IP(EA), eV:	-8.98(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3-thiophen-2-yl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H](N2[C@@H]1N(C[C@H]2C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC(C)(C)C)C#N

DOS

IR

Vibrations