Geometry & MOs

Info

ID:

148806

PubChem CID:

53788475

Reduced:

N4O6C43H62 (1)

Stoich.:

A4B6C43D62 (1)

Weight, g/mol:

423.155611

ΔHf, kcal/mol:

-292.85

Dipole, Da:

8.57

IP(EA), eV:

 -8.67(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

11-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,5-tetrahydropyrido[2,1-b]quinazolin-10-ium-8-carboxylic acid

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@H](CO)[C@@H](C)CC)O)NC(=O)[C@H](CC1=CC=CC2=CC=CC=C21)NC(=O)CCCC3=CC=CC=C3

DOS

IR

Vibrations