Geometry & MOs

Info

ID:	417141
PubChem CID:	135091450
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	341.235479
ΔH_f, kcal/mol:	11.04
Dipole, Da:	1.08
IP(EA), eV:	-9.19(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations