Geometry & MOs

Info

ID:

440792

PubChem CID:

135231476

Reduced:

O3N7H27C29 (1)

Stoich.:

A3B7C27D29 (1)

Weight, g/mol:

349.179027

ΔHf, kcal/mol:

94.81

Dipole, Da:

6.19

IP(EA), eV:

 -8.42(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2E)-2-(8-ethenyl-12-methyl-8,13,14-triazatricyclo[9.3.1.02,7]pentadeca-1(14),2,4,6,11(15),12-hexaen-9-ylidene)propanoate

Drug info:

PubChemData

Smile

CC(C)C(=N)O/N=C/C1=C2CN3C(=NN=C3C4=C(N2C=N1)C=CC(=C4)OC)COC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations