Geometry & MOs

Info

ID:	302629
PubChem CID:	124385424
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-49.98
Dipole, Da:	1.69
IP(EA), eV:	-8.18(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C[C@H](C1=CC=C(C=C1)N)C2(CCCCC2)O

DOS

IR

Vibrations