Geometry & MOs

Info

ID:	33069
PubChem CID:	7850686
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-184.95
Dipole, Da:	7.91
IP(EA), eV:	-8.85(-0.97)
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] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)O[C@@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations