Geometry & MOs

Info

ID:	299582
PubChem CID:	117688038
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	20.61
Dipole, Da:	7.14
IP(EA), eV:	-9.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,7Z,12Z,14E,16E,18E)-2,11-dioxa-6,9,23-triazabicyclo[19.4.0]pentacosa-1(25),3,5,7,9,12,14,16,18,21-decaene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1/C=C\C=C/C=C\C=C/C2=C(C=CN=C2)O/C=C\C(=N/C=C\N=CO1)C(=O)O

DOS

IR

Vibrations