Geometry & MOs

Info

ID:	335369
PubChem CID:	127254231
Reduced:	N2O5C27H36 (1)
Stoich.:	A2B5C27D36 (1)
Weight, g/mol:	439.235873
ΔH_f, kcal/mol:	-174.2
Dipole, Da:	4.55
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2C3CCCCC3(CCN2CC(=O)NCC4=CC=CC=C4)O

DOS

IR

Vibrations