Geometry & MOs

Info

ID:

438913

PubChem CID:

135228674

Reduced:

N2O5C33H46 (1)

Stoich.:

A2B5C33D46 (1)

Weight, g/mol:

510.3974

ΔHf, kcal/mol:

-210.77

Dipole, Da:

6.86

IP(EA), eV:

 -9.04(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z,5E)-N-tert-butyl-5-(6-tert-butyl-10-ethyl-2-methylidene-3-pent-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)hepta-1,3,5-trien-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=O)OCC)C(C)(C)C)/C(=C/C)/C=C\C(C)(NC(C)(C)C)O

DOS

IR

Vibrations