Geometry & MOs

Info

ID:	335334
PubChem CID:	127254196
Reduced:	N2O5C25H30 (1)
Stoich.:	A2B5C25D30 (1)
Weight, g/mol:	386.256943
ΔH_f, kcal/mol:	-166.97
Dipole, Da:	3.47
IP(EA), eV:	-8.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CN2CCC3(CCCCC3[C@@H]2C4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations