Geometry & MOs

Info

ID:	32675
PubChem CID:	7847077
Reduced:	NO3H23C28 (1)
Stoich.:	AB3C23D28 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	5.09
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC4=C(CC5=CC=CC=C54)C=C3

DOS

IR

Vibrations