Geometry & MOs

Info

ID:

438917

PubChem CID:

135228678

Reduced:

N2O5C30H36 (1)

Stoich.:

A2B5C30D36 (1)

Weight, g/mol:

516.335193

ΔHf, kcal/mol:

-183.46

Dipole, Da:

3.98

IP(EA), eV:

 -8.7(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-[(2E,4Z)-6-(butylamino)-6-oxohexa-2,4-dien-3-yl]-10-ethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C=C(C=CC1=O)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)OCC)C(C)(C)C)OC

DOS

IR

Vibrations