Geometry & MOs

Info

ID:	445788
PubChem CID:	135269547
Reduced:	N3C20H27 (1)
Stoich.:	A3B20C27 (1)
Weight, g/mol:	172.133754
ΔH_f, kcal/mol:	40.59
Dipole, Da:	3.67
IP(EA), eV:	-8.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2-methylpropyl)-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazol-4-ium

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=NC=C2)C)CC3=CC=C(C=C3)C

DOS

IR

Vibrations