Geometry & MOs

Info

ID:	438498
PubChem CID:	135228240
Reduced:	N5O5C25H27 (1)
Stoich.:	A5B5C25D27 (1)
Weight, g/mol:	349.117489
ΔH_f, kcal/mol:	-60.19
Dipole, Da:	7.29
IP(EA), eV:	-8.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethynyl-16-methoxy-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,10,14,16-heptaene-9-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CC3=C(NN(N3C4=C(N2C=N1)C=CC(=C4)OC)C)COC5=CC=CC(=C5)OC

DOS

IR

Vibrations