Geometry & MOs

Info

ID:	335313
PubChem CID:	127254175
Reduced:	NO2C15H20 (2)
Stoich.:	AB2C15D20 (2)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-134.88
Dipole, Da:	2.36
IP(EA), eV:	-7.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(1,3-benzodioxol-5-yl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)/C=C/C4=CC(=C(C=C4)OC)OC)O

DOS

IR

Vibrations