Geometry & MOs

Info

ID:	309564
PubChem CID:	126548758
Reduced:	N4H16C25 (1)
Stoich.:	A4B16C25 (1)
Weight, g/mol:	282.183109
ΔH_f, kcal/mol:	150.76
Dipole, Da:	4.52
IP(EA), eV:	-8.61(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbutoxymethoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C3=CC4=CN=C(C=C4C=C3)C5=CC6=C(N5)N=CC=C6

DOS

IR

Vibrations