Geometry & MOs

Info

ID:	11344
PubChem CID:	114204
Reduced:	ClNO3C25H30 (1)
Stoich.:	ABC3D25E30 (1)
Weight, g/mol:	427.191421
ΔH_f, kcal/mol:	-119.52
Dipole, Da:	5.14
IP(EA), eV:	-8.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,9S,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]-1-(4-methoxyphenyl)ethanone;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)CN2CC[C@]34CCCC[C@H]3[C@@H]2CC5=C4C=C(C=C5)O.Cl

DOS

IR

Vibrations