Geometry & MOs

Info

ID:	402460
PubChem CID:	135056041
Reduced:	NO2H23C28 (1)
Stoich.:	AB2C23D28 (1)
Weight, g/mol:	433.246438
ΔH_f, kcal/mol:	34.25
Dipole, Da:	4.85
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropan-2-yl 2-[(1S)-7-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]propanedioate

Drug info:

PubChemData

Smile

COC=C[C@@]1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations