Geometry & MOs

Info

ID:	305865
PubChem CID:	124971704
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	21.61
Dipole, Da:	4.58
IP(EA), eV:	-9.14(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-2-[(4-methylphenyl)methyl]-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC3(C2)C[C@H](OC3)CC4=CN=CN=C4

DOS

IR

Vibrations