Geometry & MOs

Info

ID:

439087

PubChem CID:

135228850

Reduced:

NOC14H18 (2)

Stoich.:

ABC14D18 (2)

Weight, g/mol:

447.252192

ΔHf, kcal/mol:

-21.07

Dipole, Da:

2.29

IP(EA), eV:

 -8.32(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (NZ)-N-[(Z)-2-(6-tert-butyl-10-methoxy-2-oxo-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-9-yl)but-2-enylidene]carbamimidate

Drug info:

PubChemData

Smile

C/C=C(/C=O)\C(=O)/C=C/1\C(=C)C(CC2=C1C=C(C(=C2)/C(=C/N)/C=NCC(C)C)C)C(C)C

DOS

IR

Vibrations