Geometry & MOs

Info

ID:	420684
PubChem CID:	135114663
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	3.12
IP(EA), eV:	-9.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-quinoxalin-2-ylmethanamine

Drug info:

PubChemData

Smile

COCC1=NOC(=N1)CN2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations