Geometry & MOs

Info

ID:	304488
PubChem CID:	124754288
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	46.84
Dipole, Da:	4.09
IP(EA), eV:	-9.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[[(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=NC=NC=C1)N(C)CC2=NOC(=N2)C3CCCC3

DOS

IR

Vibrations