Geometry & MOs

Info

ID:	330673
PubChem CID:	127248080
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	3.98
Dipole, Da:	7.65
IP(EA), eV:	-9.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC3(CCN(C3)C(=O)CCN4C=NN=N4)O

DOS

IR

Vibrations