Geometry & MOs

Info

ID:	125273
PubChem CID:	50917937
Reduced:	O5C21H32 (1)
Stoich.:	A5B21C32 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-247.85
Dipole, Da:	6.46
IP(EA), eV:	-9.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[[(1S,2R)-6-methoxy-2-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenolate

Drug info:

PubChemData

Smile

CCC(C)CC(=O)O[C@H]1[C@H]2[C@@H](CC(=C1[C@@H](C)CCCO)C)OC(=O)C2=C

DOS

IR

Vibrations