Geometry & MOs

Info

ID:	305636
PubChem CID:	124963490
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	1.97
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-[(1-methylimidazol-2-yl)methyl]-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCC[C@H](C2)CC3=NC=CN=C3NC

DOS

IR

Vibrations