Geometry & MOs

Info

ID:	37443
PubChem CID:	8021108
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	387.123736
ΔH_f, kcal/mol:	-174.43
Dipole, Da:	7.61
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)COC2=C(C=C(C=C2)Cl)C

DOS

IR

Vibrations