Geometry & MOs

Info

ID:	50261
PubChem CID:	12012777
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	7.71
IP(EA), eV:	-9.08(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,9S,10R)-4,6-dimethyl-5,7-dioxo-2,4,6-triazatetracyclo[7.5.1.01,11.03,8]pentadeca-3(8),12-dien-10-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=CN1)C2(CC(=NO2)C3=CN=CC=C3)C

DOS

IR

Vibrations