Geometry & MOs

Info

ID:	333951
PubChem CID:	127252503
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	3.32
IP(EA), eV:	-9.35(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CC3(C2)CC(OC3)CC4=CC=CC=C4

DOS

IR

Vibrations