Geometry & MOs

Info

ID:	176757
PubChem CID:	76094566
Reduced:	SO5C34H54 (1)
Stoich.:	AB5C34D54 (1)
Weight, g/mol:	423.20774
ΔH_f, kcal/mol:	-298.49
Dipole, Da:	1.49
IP(EA), eV:	-8.4(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(3,5-dimethylphenyl)-6-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCC(CCC)(CCSC1(CC(C2(C3CCC4(C(CCC4C3=CC=C2C1)CC)C)C)OC(=O)C)OC(=O)C)O

DOS

IR

Vibrations