Geometry & MOs

Info

ID:	335362
PubChem CID:	127254224
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-142.04
Dipole, Da:	6.97
IP(EA), eV:	-8.18(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2CC(=O)NC4=CC=C(C=C4)OC)O

DOS

IR

Vibrations