Geometry & MOs

Info

ID:	423380
PubChem CID:	135119398
Reduced:	ON4C23H34 (1)
Stoich.:	AB4C23D34 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-3.27
Dipole, Da:	2.85
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C=C(C=N2)CN3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations