Geometry & MOs

Info

ID:	335332
PubChem CID:	127254194
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	4.7
IP(EA), eV:	-8.67(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4)O

DOS

IR

Vibrations