Geometry & MOs

Info

ID:	335288
PubChem CID:	127254149
Reduced:	NO4C30H31 (1)
Stoich.:	AB4C30D31 (1)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-113.09
Dipole, Da:	2.26
IP(EA), eV:	-8.75(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)O

DOS

IR

Vibrations