Geometry & MOs

Info

ID:	335376
PubChem CID:	127254238
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-147.45
Dipole, Da:	3.65
IP(EA), eV:	-7.91(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)OC)O

DOS

IR

Vibrations