Geometry & MOs

Info

ID:	335365
PubChem CID:	127254227
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-130.71
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-4a-hydroxy-1-(4-prop-2-enoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)C4=CC=CO4)O

DOS

IR

Vibrations