Geometry & MOs

Info

ID:	425052
PubChem CID:	135124982
Reduced:	ClON3H20C33 (1)
Stoich.:	ABC3D20E33 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	143.85
Dipole, Da:	2.12
IP(EA), eV:	-9.12(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C5=CC=CC=C5OC4=CC=C3)C6=CC=CC(=C6)C7=CC(=CC=C7)Cl

DOS

IR

Vibrations