Geometry & MOs

Info

ID:	396756
PubChem CID:	135029153
Reduced:	O4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	392.031232
ΔH_f, kcal/mol:	-121.99
Dipole, Da:	4.45
IP(EA), eV:	-8.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-7-(4-chlorophenyl)-1-(4-nitrophenyl)-4-oxo-5-oxa-6-azaspiro[2.4]hept-6-ene-2,2-dicarbonitrile

Drug info:

PubChemData

Smile

CC(=C)[C@H]1CC2=CC(=C(C=C2C3=C1C(=CC(=C3)O)O)OC)OC

DOS

IR

Vibrations