Geometry & MOs

Info

ID:	133726
PubChem CID:	51584061
Reduced:	N2O3C23H37 (1)
Stoich.:	A2B3C23D37 (1)
Weight, g/mol:	388.272593
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	2.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753369
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

CC(C)(C[NH+]1[C@@H]2CC[C@H]1CC(C2)(C3=CC=C(C=C3)OC)O)CN4CCOCC4

DOS

IR

Vibrations