Geometry & MOs

Info

ID:	423532
PubChem CID:	135119681
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	347.246044
ΔH_f, kcal/mol:	-62.39
Dipole, Da:	3.48
IP(EA), eV:	-9.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-1-adamantyl)-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(=O)C2=C1C(=CC=C2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations