Geometry & MOs

Info

ID:	11317
PubChem CID:	113838
Reduced:	ClNO3C25H32 (1)
Stoich.:	ABC3D25E32 (1)
Weight, g/mol:	429.207072
ΔH_f, kcal/mol:	-105.76
Dipole, Da:	2.81
IP(EA), eV:	-8.36(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(N2CC[C@]34CCCC[C@H]3[C@@H]2CC5=C4C=C(C=C5)O)O.Cl

DOS

IR

Vibrations