Geometry & MOs

Info

ID:

438743

PubChem CID:

135228496

Reduced:

NOC15H20 (2)

Stoich.:

ABC15D20 (2)

Weight, g/mol:

561.404276

ΔHf, kcal/mol:

-38.59

Dipole, Da:

9.15

IP(EA), eV:

 -7.97(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(Z)-1-amino-3-[2-(hexylamino)ethylimino]prop-1-en-2-yl]-3-butanoyl-6-tert-butyl-10-(dimethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCCCN/C=C(\C=C)/C1=C(C=C2C(=C1)CC(N3C2=CC(=O)C(=C3)C(=C)CCC)C(C)C)OC

DOS

IR

Vibrations