Geometry & MOs

Info

ID:	426176
PubChem CID:	135141963
Reduced:	ClON4H25C27 (1)
Stoich.:	ABC4D25E27 (1)
Weight, g/mol:	489.218305
ΔH_f, kcal/mol:	52.11
Dipole, Da:	5.86
IP(EA), eV:	-8.58(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)N4C=CC=N4)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations