Geometry & MOs

Info

ID:

439006

PubChem CID:

135228768

Reduced:

NC10H13 (3)

Stoich.:

AB10C13 (3)

Weight, g/mol:

430.262028

ΔHf, kcal/mol:

87.47

Dipole, Da:

5.37

IP(EA), eV:

 -7.37(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(3E,5Z)-6-amino-4-methylhepta-1,3,5-trien-3-yl]-6-tert-butyl-3-(1-hydroxyethenyl)-2-methylidene-6,7-dihydrobenzo[a]quinolizin-10-ol

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)C)C(C)(C)C)/C(=N/N(CC=C)C=C)/C

DOS

IR

Vibrations