Geometry & MOs

Info

ID:	159810
PubChem CID:	57288774
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	477.131615
ΔH_f, kcal/mol:	-124.57
Dipole, Da:	4.62
IP(EA), eV:	-8.33(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(2-methoxy-5-propan-2-yl-5H-1,2,4-oxadiazol-3-yl)-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=CC(=O)O)C)O

DOS

IR

Vibrations