Geometry & MOs

Info

ID:	392103
PubChem CID:	135012967
Reduced:	SO8C34H40 (1)
Stoich.:	AB8C34D40 (1)
Weight, g/mol:	420.241293
ΔH_f, kcal/mol:	-262.95
Dipole, Da:	4.53
IP(EA), eV:	-8.61(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-7-(benzylamino)-9-hydroxy-6-[(4-methoxyphenyl)methyl]-5-azatricyclo[6.3.1.01,5]dodecan-4-one

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O1)[C@@H]([C@]([C@H]([C@H]2OCOC)C=O)(CSC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=C(C=C5)OC)C

DOS

IR

Vibrations