Geometry & MOs

Info

ID:	187580
PubChem CID:	77594028
Reduced:	NO2C26H33 (1)
Stoich.:	AB2C26D33 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-71.98
Dipole, Da:	2.55
IP(EA), eV:	-9.06(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbicyclo[3.1.1]heptane;1-methyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(=O)OCC12CCC3C(C1CC=C2C4=CN=CC=C4)CC=C5C3(CCCC5)C

DOS

IR

Vibrations