Geometry & MOs

Info

ID:	81926
PubChem CID:	49855360
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	597.240976
ΔH_f, kcal/mol:	-19.94
Dipole, Da:	2.14
IP(EA), eV:	-8.68(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[4-(2-morpholin-4-yl-4-oxo-1H-quinolin-8-yl)dibenzothiophen-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CC[C@@H](CC1NC)C(=C)C

DOS

IR

Vibrations