Geometry & MOs

Info

ID:	420383
PubChem CID:	135112878
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-101.05
Dipole, Da:	4.87
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)CN3CCC4(CC3)C[C@]([C@H](CO4)O)(C)O)C

DOS

IR

Vibrations