Geometry & MOs

Info

ID:	185497
PubChem CID:	77305693
Reduced:	FON7C27H34 (1)
Stoich.:	ABC7D27E34 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	23.19
Dipole, Da:	3.46
IP(EA), eV:	-8.86(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-ethenyl-6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)CN2CCCC(C2)C3=NNC(=N3)C4CCC5C(C4)C(NN5)C6=CC=NC=C6

DOS

IR

Vibrations