Geometry & MOs

Info

ID:

438960

PubChem CID:

135228721

Reduced:

O2N3C31H41 (1)

Stoich.:

A2B3C31D41 (1)

Weight, g/mol:

453.226371

ΔHf, kcal/mol:

-42.13

Dipole, Da:

8.43

IP(EA), eV:

 -7.7(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(Z)-1-amino-3-(3-hydroxypropylimino)prop-1-en-2-yl]-6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=O)OCC)C(C)(C)C)/C(=C/N)/C=NCCC(=C)C

DOS

IR

Vibrations