Geometry & MOs

Info

ID:

438800

PubChem CID:

135228557

Reduced:

O2N4C35H48 (1)

Stoich.:

A2B4C35D48 (1)

Weight, g/mol:

482.329714

ΔHf, kcal/mol:

-31.88

Dipole, Da:

8.81

IP(EA), eV:

 -8.52(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-tert-butyl-10-ethyl-9-(6-methylidene-1-propan-2-ylpyridin-3-yl)-3-pent-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCCC(CCN=C(N)N/C=C(\C=C)/C1=C(C=C2C(=C1)CC(N3C2=CC(=O)C(=C3)C(=C)C)C(C)(C)C)CC)C(=C)O

DOS

IR

Vibrations