Geometry & MOs

Info

ID:

440921

PubChem CID:

135232245

Reduced:

NH27C28 (1)

Stoich.:

AB27C28 (1)

Weight, g/mol:

355.23

ΔHf, kcal/mol:

149.59

Dipole, Da:

1.53

IP(EA), eV:

 -7.66(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-ethenyl-13-ethyl-3,4,5,7-tetramethyl-8-[(Z)-prop-1-enyl]-5-azatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16),13-heptaene

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=C(/C(=C/3\CC(=C(C3=C)C=C)C=C)/C1=C)N(C4=CC=CC=C42)C)C

DOS

IR

Vibrations