Geometry & MOs

Info

ID:	438901
PubChem CID:	135228662
Reduced:	O2N3C28H37 (1)
Stoich.:	A2B3C28D37 (1)
Weight, g/mol:	414.230728
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	7.3
IP(EA), eV:	-8.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=C)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)/C(=C/N)/C=NCCC)C(C)C

DOS

IR

Vibrations