Geometry & MOs

Info

ID:	150628
PubChem CID:	53790321
Reduced:	ClO6C34H51 (1)
Stoich.:	AB6C34D51 (1)
Weight, g/mol:	444.181585
ΔH_f, kcal/mol:	-296.5
Dipole, Da:	4.51
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2R)-2-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-chlorophenyl] 2-methylpropyl carbonate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)OC(=O)C(C)C)OCCCCCC)OCCCCCC

DOS

IR

Vibrations