Geometry & MOs

Info

ID:

438914

PubChem CID:

135228675

Reduced:

NC18H25 (2)

Stoich.:

AB18C25 (2)

Weight, g/mol:

442.298414

ΔHf, kcal/mol:

30.77

Dipole, Da:

7.17

IP(EA), eV:

 -7.25(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(1E)-2-(6-tert-butyl-10-ethyl-2-methylidene-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)buta-1,3-dienyl]amino]propan-2-one

Drug info:

PubChemData

Smile

CCCC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)CC)/C(=C/C)/C=C\C(=C)NC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations