Geometry & MOs

Info

ID:	438556
PubChem CID:	135228299
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	446.195405
ΔH_f, kcal/mol:	34.26
Dipole, Da:	4.81
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2,4-dimethylphenoxy)methyl]-15-methoxy-2,3,9,11-tetrazatetracyclo[10.4.0.02,5.07,11]hexadeca-1(12),4,7,9,13,15-hexaene-8-carboxylate

Drug info:

PubChemData

Smile

CCN(C=N)C1=C(C=C(C=C1)OC)NN=NC(C)C

DOS

IR

Vibrations