Geometry & MOs

Info

ID:	237017
PubChem CID:	92716919
Reduced:	NO5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	445.188923
ΔH_f, kcal/mol:	-141.73
Dipole, Da:	5.84
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1R)-6,7-diethoxy-3-oxo-2-phenyl-1,4-dihydroisoquinolin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@@H](N(C(=O)CC2=C1)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC)OCC

DOS

IR

Vibrations