Geometry & MOs

Info

ID:

439039

PubChem CID:

135228802

Reduced:

O2N5C32H43 (1)

Stoich.:

A2B5C32D43 (1)

Weight, g/mol:

510.335862

ΔHf, kcal/mol:

-38.61

Dipole, Da:

14.41

IP(EA), eV:

 -8.46(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-tert-butyl-2-methylidene-9-[1-methyl-2-(4-prop-1-en-2-ylpiperidin-1-yl)-2H-pyrimidin-5-yl]-6,7-dihydrobenzo[a]quinolizin-3-yl]ethenol

Drug info:

PubChemData

Smile

CCCN(CCNCC)C1=NC=C(C=N1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=C)O)C(C)(C)C)CC

DOS

IR

Vibrations