Geometry & MOs

Info

ID:	438753
PubChem CID:	135228506
Reduced:	NC11H15 (3)
Stoich.:	AB11C15 (3)
Weight, g/mol:	389.235479
ΔH_f, kcal/mol:	50.43
Dipole, Da:	5.84
IP(EA), eV:	-7.33(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-tert-butyl-10-hydroxy-2-methylidene-9-[(2E)-3-methylpenta-2,4-dien-2-yl]-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations