Geometry & MOs

Info

ID:	393949
PubChem CID:	135022038
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	3.65
IP(EA), eV:	-9.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-methyl 2-O-prop-2-enyl (3S)-3-methyl-1,4-dihydroisoquinoline-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)Cl

DOS

IR

Vibrations