Geometry & MOs

Info

ID:	217052
PubChem CID:	85087165
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-37.24
Dipole, Da:	3.65
IP(EA), eV:	-8.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-oxo-4-oxa-2,9,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),7,9,12,14-pentaene-8-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(C(=O)O)N=[N+]=[N-])OCC2=CC=CC=C2

DOS

IR

Vibrations