Geometry & MOs

Info

ID:	121850
PubChem CID:	50783997
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	411.098584
ΔH_f, kcal/mol:	-42.97
Dipole, Da:	7.32
IP(EA), eV:	-8.54(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorobenzoyl)amino]-2-morpholin-4-ylquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NC(=O)C5CC5)C(=C3)C(=O)O)C

DOS

IR

Vibrations